Imidazoles

Aromatic organic heterocyclic compounds that consist of a diazole with non-adjacent nitrogen atoms with the formula: C3N2H4.

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1-Butyl-3-methylimidazolium hexafluorophosphate, 98+%

CAS: 174501-64-5 Molecular Formula: C8H15F6N2P Molecular Weight (g/mol): 284.19 MDL Number: MFCD03093295 InChI Key: IXQYBUDWDLYNMA-UHFFFAOYSA-N Synonym: 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate PubChem CID: 2734174 SMILES: F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1

Pricing and Availability
Specifications

PubChem CID	2734174
CAS	174501-64-5
Molecular Weight (g/mol)	284.19
MDL Number	MFCD03093295
SMILES	F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1
Synonym	1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate
InChI Key	IXQYBUDWDLYNMA-UHFFFAOYSA-N
Molecular Formula	C8H15F6N2P

1,1'-Carbonyldiimidazole, 97%

CAS: 530-62-1 Molecular Formula: C7H6N4O Molecular Weight (g/mol): 162.15 MDL Number: MFCD00005286 InChI Key: PFKFTWBEEFSNDU-UHFFFAOYSA-N Synonym: 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole PubChem CID: 68263 IUPAC Name: di(imidazol-1-yl)methanone SMILES: O=C(N1C=CN=C1)N1C=CN=C1

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Specifications

PubChem CID	68263
CAS	530-62-1
Molecular Weight (g/mol)	162.15
MDL Number	MFCD00005286
SMILES	O=C(N1C=CN=C1)N1C=CN=C1
Synonym	1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole
IUPAC Name	di(imidazol-1-yl)methanone
InChI Key	PFKFTWBEEFSNDU-UHFFFAOYSA-N
Molecular Formula	C7H6N4O

1-Methylimidazole, 99%

CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole PubChem CID: 1390 ChEBI: CHEBI:113454 IUPAC Name: 1-methylimidazole SMILES: CN1C=CN=C1

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Specifications

PubChem CID	1390
CAS	616-47-7
Molecular Weight (g/mol)	82.11
ChEBI	CHEBI:113454
MDL Number	MFCD00005292
SMILES	CN1C=CN=C1
Synonym	1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole
IUPAC Name	1-methylimidazole
InChI Key	MCTWTZJPVLRJOU-UHFFFAOYSA-N
Molecular Formula	C4H6N2

1-Vinylimidazole, 99%

CAS: 1072-63-5 Molecular Formula: C5H6N2 Molecular Weight (g/mol): 94.12 MDL Number: MFCD00005297 InChI Key: OSSNTDFYBPYIEC-UHFFFAOYSA-N Synonym: 1-vinylimidazole,1-vinyl-1h-imidazole,n-vinylimidazole,1h-imidazole, 1-ethenyl,lufixan,polyvinylimidazole,poly vinylimidazole,poly n-vinylimidazole,poly 1-vinylimidazole,n-vinylimidazole polymer PubChem CID: 66171 SMILES: C=CN1C=CN=C1

Pricing and Availability
Specifications

PubChem CID	66171
CAS	1072-63-5
Molecular Weight (g/mol)	94.12
MDL Number	MFCD00005297
SMILES	C=CN1C=CN=C1
Synonym	1-vinylimidazole,1-vinyl-1h-imidazole,n-vinylimidazole,1h-imidazole, 1-ethenyl,lufixan,polyvinylimidazole,poly vinylimidazole,poly n-vinylimidazole,poly 1-vinylimidazole,n-vinylimidazole polymer
InChI Key	OSSNTDFYBPYIEC-UHFFFAOYSA-N
Molecular Formula	C5H6N2

Ganciclovir, 98%, Thermo Scientific Chemicals

CAS: 82410-32-0 Molecular Formula: C₉H₁₃N₅O₄ Molecular Weight (g/mol): 255.23 InChI Key: IRSCQMHQWWYFCW-UHFFFAOYSA-N Synonym: ganciclovir,gancyclovir,cytovene,vitrasert,hydroxyacyclovir,ganciclovirum,zirgan,ganciclovir sodium,cymevene,hhemg PubChem CID: 3454 ChEBI: CHEBI:465284 IUPAC Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one SMILES: C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N

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Specifications

PubChem CID	3454
CAS	82410-32-0
Molecular Weight (g/mol)	255.23
ChEBI	CHEBI:465284
SMILES	C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N
Synonym	ganciclovir,gancyclovir,cytovene,vitrasert,hydroxyacyclovir,ganciclovirum,zirgan,ganciclovir sodium,cymevene,hhemg
IUPAC Name	2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one
InChI Key	IRSCQMHQWWYFCW-UHFFFAOYSA-N
Molecular Formula	C₉H₁₃N₅O₄

Urocanic acid, 98%

CAS: 104-98-3 Molecular Formula: C₆H₆N₂O₂ Molecular Weight (g/mol): 138.13 MDL Number: MFCD00005203 InChI Key: LOIYMIARKYCTBW-UPHRSURJSA-N Synonym: urocanic acid,4-imidazoleacrylic acid,trans-urocanic acid,urocaninic acid,imidazoleacrylic acid,5-imidazoleacrylic acid,urocanate,imidazole-4-acrylic acid,2e-3-1h-imidazol-4-yl acrylic acid,3-1h-imidazol-4-yl-2-propenoic acid PubChem CID: 1549103 ChEBI: CHEBI:30818 IUPAC Name: (Z)-3-(1H-imidazol-5-yl)prop-2-enoic acid SMILES: C1=C(NC=N1)C=CC(=O)O

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Specifications

PubChem CID	1549103
CAS	104-98-3
Molecular Weight (g/mol)	138.13
ChEBI	CHEBI:30818
MDL Number	MFCD00005203
SMILES	C1=C(NC=N1)C=CC(=O)O
Synonym	urocanic acid,4-imidazoleacrylic acid,trans-urocanic acid,urocaninic acid,imidazoleacrylic acid,5-imidazoleacrylic acid,urocanate,imidazole-4-acrylic acid,2e-3-1h-imidazol-4-yl acrylic acid,3-1h-imidazol-4-yl-2-propenoic acid
IUPAC Name	(Z)-3-(1H-imidazol-5-yl)prop-2-enoic acid
InChI Key	LOIYMIARKYCTBW-UPHRSURJSA-N
Molecular Formula	C₆H₆N₂O₂

1-Ethyl-3-methylimidazolium chloride, 97%

CAS: 65039-09-0 Molecular Formula: C6H11ClN2 Molecular Weight (g/mol): 146.62 MDL Number: MFCD00074843 InChI Key: BMQZYMYBQZGEEY-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium chloride,1-ethyl-3-methyl-1h-imidazol-3-ium chloride,emim cl,unii-ph90aq1e93,1-ethyl-3-methylimidazoliumchloride,1-methyl-3-ethylimidazolium chloride,1-ethyl-3-methylimidazol-3-ium chloride,emim-cl,basionics™ st 80,dsstox_cid_21180 PubChem CID: 2734160 ChEBI: CHEBI:61327 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;chloride SMILES: [Cl-].CCN1C=C[N+](C)=C1

Pricing and Availability
Specifications

PubChem CID	2734160
CAS	65039-09-0
Molecular Weight (g/mol)	146.62
ChEBI	CHEBI:61327
MDL Number	MFCD00074843
SMILES	[Cl-].CCN1C=C[N+](C)=C1
Synonym	1-ethyl-3-methylimidazolium chloride,1-ethyl-3-methyl-1h-imidazol-3-ium chloride,emim cl,unii-ph90aq1e93,1-ethyl-3-methylimidazoliumchloride,1-methyl-3-ethylimidazolium chloride,1-ethyl-3-methylimidazol-3-ium chloride,emim-cl,basionics™ st 80,dsstox_cid_21180
IUPAC Name	1-ethyl-3-methylimidazol-3-ium;chloride
InChI Key	BMQZYMYBQZGEEY-UHFFFAOYSA-M
Molecular Formula	C6H11ClN2

Thermo Scientific Chemicals Tinidazole

CAS: 19387-91-8 Molecular Formula: C8H13N3O4S Molecular Weight (g/mol): 247.27 MDL Number: MFCD00057217 InChI Key: HJLSLZFTEKNLFI-UHFFFAOYSA-N IUPAC Name: 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole SMILES: CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O

Pricing and Availability
Specifications

CAS	19387-91-8
Molecular Weight (g/mol)	247.27
MDL Number	MFCD00057217
SMILES	CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O
IUPAC Name	1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole
InChI Key	HJLSLZFTEKNLFI-UHFFFAOYSA-N
Molecular Formula	C8H13N3O4S

1-(3-Aminopropyl)imidazole, 98%

CAS: 5036-48-6 Molecular Formula: C6H11N3 Molecular Weight (g/mol): 125.18 MDL Number: MFCD00009819 InChI Key: KDHWOCLBMVSZPG-UHFFFAOYSA-N Synonym: 1-3-aminopropyl imidazole,n-3-aminopropyl imidazole,1h-imidazole-1-propanamine,n-3-aminopropyl-imidazole,3-1h-imidazol-1-yl propan-1-amine,3-imidazol-1-ylpropylamine,3-1h-imidazol-1-yl-1-propanamine,1-3-aminopropyl-imidazole,3-imidazol-1-yl propylamine,3-imidazolylpropylamine PubChem CID: 78736 SMILES: NCCCN1C=CN=C1

Pricing and Availability
Specifications

PubChem CID	78736
CAS	5036-48-6
Molecular Weight (g/mol)	125.18
MDL Number	MFCD00009819
SMILES	NCCCN1C=CN=C1
Synonym	1-3-aminopropyl imidazole,n-3-aminopropyl imidazole,1h-imidazole-1-propanamine,n-3-aminopropyl-imidazole,3-1h-imidazol-1-yl propan-1-amine,3-imidazol-1-ylpropylamine,3-1h-imidazol-1-yl-1-propanamine,1-3-aminopropyl-imidazole,3-imidazol-1-yl propylamine,3-imidazolylpropylamine
InChI Key	KDHWOCLBMVSZPG-UHFFFAOYSA-N
Molecular Formula	C6H11N3

1-Butyl-3-methylimidazolium tetrafluoroborate, 98+%

CAS: 174501-65-6 Molecular Formula: C8H15BF4N2 Molecular Weight (g/mol): 226.03 MDL Number: MFCD03095449 InChI Key: LSBXQLQATZTAPE-UHFFFAOYSA-N Synonym: 1-butyl-3-methylimidazolium tetrafluoroborate,1-n-butyl-3-methylimidazolium tetrafluoroborate,3-butyl-1-methyl-1h-imidazol-3-ium tetrafluoroborate,unii-t2tvz2306t,bmimbf4,butylmethylimidazolium tetrafluoroborate,1-butyl-3-methylimidazolium terafluoroborate,1-methyl-3-butylimidazolium tetrafluoroborate,c4mim tetrafluoroborate,1-butyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate PubChem CID: 2734178 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;tetrafluoroborate SMILES: F[B-](F)(F)F.CCCCN1C=C[N+](C)=C1

Pricing and Availability
Specifications

PubChem CID	2734178
CAS	174501-65-6
Molecular Weight (g/mol)	226.03
MDL Number	MFCD03095449
SMILES	F[B-](F)(F)F.CCCCN1C=C[N+](C)=C1
Synonym	1-butyl-3-methylimidazolium tetrafluoroborate,1-n-butyl-3-methylimidazolium tetrafluoroborate,3-butyl-1-methyl-1h-imidazol-3-ium tetrafluoroborate,unii-t2tvz2306t,bmimbf4,butylmethylimidazolium tetrafluoroborate,1-butyl-3-methylimidazolium terafluoroborate,1-methyl-3-butylimidazolium tetrafluoroborate,c4mim tetrafluoroborate,1-butyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate
IUPAC Name	1-butyl-3-methylimidazol-3-ium;tetrafluoroborate
InChI Key	LSBXQLQATZTAPE-UHFFFAOYSA-N
Molecular Formula	C8H15BF4N2

1,2-Dimethylimidazole, 98%

CAS: 1739-84-0 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005294 InChI Key: GIWQSPITLQVMSG-UHFFFAOYSA-N Synonym: 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole PubChem CID: 15617 IUPAC Name: 1,2-dimethylimidazole SMILES: CN1C=CN=C1C

Pricing and Availability
Specifications

PubChem CID	15617
CAS	1739-84-0
Molecular Weight (g/mol)	96.13
MDL Number	MFCD00005294
SMILES	CN1C=CN=C1C
Synonym	1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole
IUPAC Name	1,2-dimethylimidazole
InChI Key	GIWQSPITLQVMSG-UHFFFAOYSA-N
Molecular Formula	C5H8N2

Imidazole-4-carboxaldehyde, 97%

CAS: 3034-50-2 Molecular Formula: C4H4N2O Molecular Weight (g/mol): 96.089 MDL Number: MFCD00173726 InChI Key: ZQEXIXXJFSQPNA-UHFFFAOYSA-N Synonym: 1h-imidazole-4-carbaldehyde,imidazole-4-carbaldehyde,1h-imidazole-4-carboxaldehyde,imidazole-4-carboxaldehyde,4-imidazolecarboxaldehyde,4-formylimidazole,4 5-imidazolecarboxaldehyde,3h-imidazole-4-carbaldehyde,4-formyl-1h-imidazole,imidazole-5-carbaldehyde PubChem CID: 76428 IUPAC Name: 1H-imidazole-5-carbaldehyde SMILES: C1=C(NC=N1)C=O

Pricing and Availability
Specifications

PubChem CID	76428
CAS	3034-50-2
Molecular Weight (g/mol)	96.089
MDL Number	MFCD00173726
SMILES	C1=C(NC=N1)C=O
Synonym	1h-imidazole-4-carbaldehyde,imidazole-4-carbaldehyde,1h-imidazole-4-carboxaldehyde,imidazole-4-carboxaldehyde,4-imidazolecarboxaldehyde,4-formylimidazole,4 5-imidazolecarboxaldehyde,3h-imidazole-4-carbaldehyde,4-formyl-1h-imidazole,imidazole-5-carbaldehyde
IUPAC Name	1H-imidazole-5-carbaldehyde
InChI Key	ZQEXIXXJFSQPNA-UHFFFAOYSA-N
Molecular Formula	C4H4N2O

2-Methyl-4(5)-nitroimidazole, 99%

CAS: 696-23-1 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.10 MDL Number: MFCD00005191 InChI Key: FFYTTYVSDVWNMY-UHFFFAOYSA-N Synonym: 2-methyl-5-nitroimidazole,2-methyl-4-nitroimidazole,2-methyl-4-nitro-1h-imidazole,menidazole,1h-imidazole, 2-methyl-4-nitro,1h-imidazole, 2-methyl-5-nitro,2-methyl-4 5-nitroimidazole,imidazole, 2-methyl-4-nitro,unii-24ag2ww15w,imidazole, 2-methyl-5-nitro PubChem CID: 12760 IUPAC Name: 2-methyl-5-nitro-1H-imidazole SMILES: CC1=NC=C(N1)[N+]([O-])=O

Pricing and Availability
Specifications

PubChem CID	12760
CAS	696-23-1
Molecular Weight (g/mol)	127.10
MDL Number	MFCD00005191
SMILES	CC1=NC=C(N1)[N+]([O-])=O
Synonym	2-methyl-5-nitroimidazole,2-methyl-4-nitroimidazole,2-methyl-4-nitro-1h-imidazole,menidazole,1h-imidazole, 2-methyl-4-nitro,1h-imidazole, 2-methyl-5-nitro,2-methyl-4 5-nitroimidazole,imidazole, 2-methyl-4-nitro,unii-24ag2ww15w,imidazole, 2-methyl-5-nitro
IUPAC Name	2-methyl-5-nitro-1H-imidazole
InChI Key	FFYTTYVSDVWNMY-UHFFFAOYSA-N
Molecular Formula	C4H5N3O2

1-Methyl-3-n-octylimidazolium chloride, 97%

CAS: 64697-40-1 Molecular Formula: C12H23ClN2 Molecular Weight (g/mol): 230.78 MDL Number: MFCD03095432 InChI Key: OXFBEEDAZHXDHB-UHFFFAOYSA-M Synonym: 1-methyl-3-n-octylimidazolium chloride,1-methyl-3-octylimidazolium chloride,1-octyl-3-methylimidazolium chloride,3-methyl-1-octylimidazolium chloride,omimcl,acmc-20aj1j,dsstox_cid_27849,dsstox_rid_82602,dsstox_gsid_47873,ksc491c7j PubChem CID: 2734223 ChEBI: CHEBI:61342 IUPAC Name: 1-methyl-3-octylimidazol-1-ium;chloride SMILES: [Cl-].CCCCCCCCN1C=C[N+](C)=C1

Pricing and Availability
Specifications

PubChem CID	2734223
CAS	64697-40-1
Molecular Weight (g/mol)	230.78
ChEBI	CHEBI:61342
MDL Number	MFCD03095432
SMILES	[Cl-].CCCCCCCCN1C=C[N+](C)=C1
Synonym	1-methyl-3-n-octylimidazolium chloride,1-methyl-3-octylimidazolium chloride,1-octyl-3-methylimidazolium chloride,3-methyl-1-octylimidazolium chloride,omimcl,acmc-20aj1j,dsstox_cid_27849,dsstox_rid_82602,dsstox_gsid_47873,ksc491c7j
IUPAC Name	1-methyl-3-octylimidazol-1-ium;chloride
InChI Key	OXFBEEDAZHXDHB-UHFFFAOYSA-M
Molecular Formula	C12H23ClN2

1-Ethyl-3-methylimidazolium acetate, 97%

CAS: 143314-17-4 Molecular Formula: C8H14N2O2 Molecular Weight (g/mol): 170.212 MDL Number: MFCD06798186 InChI Key: XIYUIMLQTKODPS-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc PubChem CID: 11658353 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;acetate SMILES: CCN1C=C[N+](=C1)C.CC(=O)[O-]

Pricing and Availability
Specifications

PubChem CID	11658353
CAS	143314-17-4
Molecular Weight (g/mol)	170.212
MDL Number	MFCD06798186
SMILES	CCN1C=C[N+](=C1)C.CC(=O)[O-]
Synonym	1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc
IUPAC Name	1-ethyl-3-methylimidazol-3-ium;acetate
InChI Key	XIYUIMLQTKODPS-UHFFFAOYSA-M
Molecular Formula	C8H14N2O2

Imidazoles

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