Imidazoles

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

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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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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

Carbimazole, 98%, Thermo Scientific™

CAS: 22232-54-8 Molecular Formula: C₇H₁₀N₂O₂S Molecular Weight (g/mol): 186.23 InChI Key: CFOYWRHIYXMDOT-UHFFFAOYSA-N Synonym: carbimazole,athyromazole,carbimazol,carbethoxymethimazole,neomercazole,carbinazole,neo-thyreostat,basolest,carbimazolum,thyrostat PubChem CID: 31072 ChEBI: CHEBI:617099 IUPAC Name: ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate SMILES: CCOC(=O)N1C=CN(C1=S)C

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Specifications

PubChem CID	31072
CAS	22232-54-8
Molecular Weight (g/mol)	186.23
ChEBI	CHEBI:617099
SMILES	CCOC(=O)N1C=CN(C1=S)C
Synonym	carbimazole,athyromazole,carbimazol,carbethoxymethimazole,neomercazole,carbinazole,neo-thyreostat,basolest,carbimazolum,thyrostat
IUPAC Name	ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate
InChI Key	CFOYWRHIYXMDOT-UHFFFAOYSA-N
Molecular Formula	C₇H₁₀N₂O₂S

Ternidazole, 95%, Thermo Scientific Chemicals

CAS: 1077-93-6 Molecular Formula: C₇H₁₁N₃O₃ Molecular Weight (g/mol): 185.18 InChI Key: DUOHVNSMLSPTMI-UHFFFAOYSA-N Synonym: ternidazole,unii-4n8r018qb0,1-3-hydroxypropyl-2-methyl-5-nitro-1h-imidazole,3-2-methyl-5-nitroimidazol-1-yl propan-1-ol,ternidazol,ternidazolum,ternidazole inn,ternidazol inn-spanish,ternidazolum inn-latin PubChem CID: 68944 IUPAC Name: 3-(2-methyl-5-nitroimidazol-1-yl)propan-1-ol SMILES: CC1=NC=C(N1CCCO)[N+](=O)[O-]

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Specifications

PubChem CID	68944
CAS	1077-93-6
Molecular Weight (g/mol)	185.18
SMILES	CC1=NC=C(N1CCCO)[N+](=O)[O-]
Synonym	ternidazole,unii-4n8r018qb0,1-3-hydroxypropyl-2-methyl-5-nitro-1h-imidazole,3-2-methyl-5-nitroimidazol-1-yl propan-1-ol,ternidazol,ternidazolum,ternidazole inn,ternidazol inn-spanish,ternidazolum inn-latin
IUPAC Name	3-(2-methyl-5-nitroimidazol-1-yl)propan-1-ol
InChI Key	DUOHVNSMLSPTMI-UHFFFAOYSA-N
Molecular Formula	C₇H₁₁N₃O₃

1-Acetylimidazole, 98%, Thermo Scientific Chemicals

CAS: 2466-76-4 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD00005287 InChI Key: VIHYIVKEECZGOU-UHFFFAOYSA-N Synonym: 1-acetylimidazole,n-acetylimidazole,1-1h-imidazol-1-yl ethanone,1h-imidazole, 1-acetyl,acetylimidazole,1-acetyl-1h-imidazole,imidazole, 1-acetyl,3-acetylimidazole,unii-zmp8x1y11g,ccris 6534 PubChem CID: 17174 ChEBI: CHEBI:16984 IUPAC Name: 1-imidazol-1-ylethanone SMILES: CC(=O)N1C=CN=C1

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Specifications

PubChem CID	17174
CAS	2466-76-4
Molecular Weight (g/mol)	110.12
ChEBI	CHEBI:16984
MDL Number	MFCD00005287
SMILES	CC(=O)N1C=CN=C1
Synonym	1-acetylimidazole,n-acetylimidazole,1-1h-imidazol-1-yl ethanone,1h-imidazole, 1-acetyl,acetylimidazole,1-acetyl-1h-imidazole,imidazole, 1-acetyl,3-acetylimidazole,unii-zmp8x1y11g,ccris 6534
IUPAC Name	1-imidazol-1-ylethanone
InChI Key	VIHYIVKEECZGOU-UHFFFAOYSA-N
Molecular Formula	C5H6N2O

2,9-Diacetylguanine, 96%, Thermo Scientific™

CAS: 3056-33-5 Molecular Formula: C9H9N5O3 Molecular Weight (g/mol): 235.20 MDL Number: MFCD00142116 InChI Key: GILZZWCROUGLIS-UHFFFAOYSA-N PubChem CID: 76461 IUPAC Name: N-(9-acetyl-6-oxo-3H-purin-2-yl)acetamide SMILES: CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C(C)=O

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Specifications

PubChem CID	76461
CAS	3056-33-5
Molecular Weight (g/mol)	235.20
MDL Number	MFCD00142116
SMILES	CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C(C)=O
IUPAC Name	N-(9-acetyl-6-oxo-3H-purin-2-yl)acetamide
InChI Key	GILZZWCROUGLIS-UHFFFAOYSA-N
Molecular Formula	C9H9N5O3

4,5-Imidazoledicarboxylic acid, 99%, Thermo Scientific Chemicals

CAS: 570-22-9 Molecular Formula: C5H4N2O4 Molecular Weight (g/mol): 156.10 MDL Number: MFCD00005200 InChI Key: ZEVWQFWTGHFIDH-UHFFFAOYSA-N Synonym: 4,5-imidazoledicarboxylic acid,imidazole-4,5-dicarboxylic acid,glyoxalinedicarboxylic acid,4,5-dicarboxyimidazole,4,5-imidazoledicarboxylate,glycoxalinedicarboxylic acid,alpha-beta-imidazolecarboxylic acid,alpha,beta-imidazoledicarboxylic acid,4.5-imidazoledicarboxylic acid,4,5-imidazole dicarboxylic acid PubChem CID: 68442 IUPAC Name: 1H-imidazole-4,5-dicarboxylic acid SMILES: OC(=O)C1=C(N=CN1)C(O)=O

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PubChem CID	68442
CAS	570-22-9
Molecular Weight (g/mol)	156.10
MDL Number	MFCD00005200
SMILES	OC(=O)C1=C(N=CN1)C(O)=O
Synonym	4,5-imidazoledicarboxylic acid,imidazole-4,5-dicarboxylic acid,glyoxalinedicarboxylic acid,4,5-dicarboxyimidazole,4,5-imidazoledicarboxylate,glycoxalinedicarboxylic acid,alpha-beta-imidazolecarboxylic acid,alpha,beta-imidazoledicarboxylic acid,4.5-imidazoledicarboxylic acid,4,5-imidazole dicarboxylic acid
IUPAC Name	1H-imidazole-4,5-dicarboxylic acid
InChI Key	ZEVWQFWTGHFIDH-UHFFFAOYSA-N
Molecular Formula	C5H4N2O4

1H-Imidazole-4-carbaldehyde, 97%, Thermo Scientific™

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

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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

Imidazo[1,2-b]pyridazine, 98%, Thermo Scientific™

CAS: 766-55-2 Molecular Formula: C₆H₅N₃ Molecular Weight (g/mol): 119.12 InChI Key: VTVRXITWWZGKHV-UHFFFAOYSA-N Synonym: imidazo 1,2-b pyridazine,imidazol 1,2-b pyridazine,imdazo1,2-bpyridazine,pubchem11271,acmc-1bczx,imidazo 2,1-f pyridazine,1,5-diazaindolizine,ksc258e5b,1,3a,4-triazaindene PubChem CID: 136599 IUPAC Name: imidazo[1,2-b]pyridazine SMILES: C1=CC2=NC=CN2N=C1

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Specifications

PubChem CID	136599
CAS	766-55-2
Molecular Weight (g/mol)	119.12
SMILES	C1=CC2=NC=CN2N=C1
Synonym	imidazo 1,2-b pyridazine,imidazol 1,2-b pyridazine,imdazo1,2-bpyridazine,pubchem11271,acmc-1bczx,imidazo 2,1-f pyridazine,1,5-diazaindolizine,ksc258e5b,1,3a,4-triazaindene
IUPAC Name	imidazo[1,2-b]pyridazine
InChI Key	VTVRXITWWZGKHV-UHFFFAOYSA-N
Molecular Formula	C₆H₅N₃

4-Methyl-5-nitroimidazole, 98%, Thermo Scientific™

CAS: 14003-66-8 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.10 MDL Number: MFCD01721395 InChI Key: WSYOWIMKNNMEMZ-UHFFFAOYSA-N Synonym: 4-methyl-5-nitroimidazole,5-methyl-4-nitroimidazole,4-methyl-5-nitro-1h-imidazole,1h-imidazole, 4-methyl-5-nitro,imidazole, 4-methyl-5-nitro,imidazole, 5-methyl-4-nitro,unii-5pul8bw840,imidazole, 4 or 5-methyl-5 or 4-nitro,4-methyl-5-nitro-3h-imidazole,1h-imidazole,4-methyl-5-nitro PubChem CID: 26385 IUPAC Name: 5-methyl-4-nitro-1H-imidazole SMILES: CC1=C(N=CN1)[N+]([O-])=O

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Specifications

PubChem CID	26385
CAS	14003-66-8
Molecular Weight (g/mol)	127.10
MDL Number	MFCD01721395
SMILES	CC1=C(N=CN1)[N+]([O-])=O
Synonym	4-methyl-5-nitroimidazole,5-methyl-4-nitroimidazole,4-methyl-5-nitro-1h-imidazole,1h-imidazole, 4-methyl-5-nitro,imidazole, 4-methyl-5-nitro,imidazole, 5-methyl-4-nitro,unii-5pul8bw840,imidazole, 4 or 5-methyl-5 or 4-nitro,4-methyl-5-nitro-3h-imidazole,1h-imidazole,4-methyl-5-nitro
IUPAC Name	5-methyl-4-nitro-1H-imidazole
InChI Key	WSYOWIMKNNMEMZ-UHFFFAOYSA-N
Molecular Formula	C4H5N3O2

5-Methylimidazole-4-carboxaldehyde, 99%, Thermo Scientific Chemicals

CAS: 68282-53-1 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD00173728 InChI Key: KMWCSNCNHSEXIF-UHFFFAOYSA-N Synonym: 4-methyl-1h-imidazole-5-carbaldehyde,5-methylimidazole-4-carboxaldehyde,4-methylimidazole-5-carboxaldehyde,4-methyl-5-imidazolecarboxaldehyde,5-methyl-3h-imidazole-4-carbaldehyde,4-methylimidazole-5-carbaldehyde,1h-imidazole-4-carboxaldehyde, 5-methyl,1h-imidazole-5-carboxaldehyde, 4-methyl,pubchem23016,acmc-1b6zs PubChem CID: 2795887 IUPAC Name: 5-methyl-1H-imidazole-4-carbaldehyde SMILES: CC1=C(C=O)N=CN1

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Specifications

PubChem CID	2795887
CAS	68282-53-1
Molecular Weight (g/mol)	110.12
MDL Number	MFCD00173728
SMILES	CC1=C(C=O)N=CN1
Synonym	4-methyl-1h-imidazole-5-carbaldehyde,5-methylimidazole-4-carboxaldehyde,4-methylimidazole-5-carboxaldehyde,4-methyl-5-imidazolecarboxaldehyde,5-methyl-3h-imidazole-4-carbaldehyde,4-methylimidazole-5-carbaldehyde,1h-imidazole-4-carboxaldehyde, 5-methyl,1h-imidazole-5-carboxaldehyde, 4-methyl,pubchem23016,acmc-1b6zs
IUPAC Name	5-methyl-1H-imidazole-4-carbaldehyde
InChI Key	KMWCSNCNHSEXIF-UHFFFAOYSA-N
Molecular Formula	C5H6N2O

1-(trans-Cinnamoyl)imidazole, 98%, Thermo Scientific Chemicals

CAS: 1138-15-4 Molecular Formula: C12H10N2O Molecular Weight (g/mol): 198.225 MDL Number: MFCD00005288 InChI Key: XVGXMXZUJNAGFZ-VOTSOKGWSA-N Synonym: n-trans-cinnamoylimidazole,trans-cinnamoylimidazole,imidazole, 1-cinnamoyl-, e,imidazole, 1-cinnamoyl-, trans,imidazole, trans,1-trans-cinnamoyl imidazole,imidazole, e,e-1-1h-imidazol-1-yl-3-phenylprop-2-en-1-one,1h-imidazole, e,2e-1-imidazolyl-3-phenylprop-2-en-1-one PubChem CID: 5357650 IUPAC Name: (E)-1-imidazol-1-yl-3-phenylprop-2-en-1-one SMILES: C1=CC=C(C=C1)C=CC(=O)N2C=CN=C2

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Specifications

PubChem CID	5357650
CAS	1138-15-4
Molecular Weight (g/mol)	198.225
MDL Number	MFCD00005288
SMILES	C1=CC=C(C=C1)C=CC(=O)N2C=CN=C2
Synonym	n-trans-cinnamoylimidazole,trans-cinnamoylimidazole,imidazole, 1-cinnamoyl-, e,imidazole, 1-cinnamoyl-, trans,imidazole, trans,1-trans-cinnamoyl imidazole,imidazole, e,e-1-1h-imidazol-1-yl-3-phenylprop-2-en-1-one,1h-imidazole, e,2e-1-imidazolyl-3-phenylprop-2-en-1-one
IUPAC Name	(E)-1-imidazol-1-yl-3-phenylprop-2-en-1-one
InChI Key	XVGXMXZUJNAGFZ-VOTSOKGWSA-N
Molecular Formula	C12H10N2O

2-(4-Fluorophenyl)benzimidazole, 95%, Thermo Scientific Chemicals

CAS: 324-27-6 Molecular Formula: C13H9FN2 Molecular Weight (g/mol): 212.23 MDL Number: MFCD00224358 InChI Key: FPWUSPPQEHBWHC-UHFFFAOYSA-N Synonym: 2-4-fluorophenyl-1h-benzimidazole,1h-benzimidazole, 2-4-fluorophenyl,2-4-fluorophenyl-1h-1,3-benzodiazole,2-4-fluorophenyl-1h-benzoimidazole,p-fluorophenyl-2 benzimidazole,2-4-fluoro-phenyl-1h-benzoimidazole,2-4-fluorophenyl-1h-benzo d imidazole,p-fluorophenyl-2 benzimidazole french,2-4-fluorophenyl benzimidazole,benzimidazole, 2-p-fluorophenyl-7ci,8ci PubChem CID: 101259 SMILES: FC1=CC=C(C=C1)C1=NC2=CC=CC=C2N1

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Specifications

PubChem CID	101259
CAS	324-27-6
Molecular Weight (g/mol)	212.23
MDL Number	MFCD00224358
SMILES	FC1=CC=C(C=C1)C1=NC2=CC=CC=C2N1
Synonym	2-4-fluorophenyl-1h-benzimidazole,1h-benzimidazole, 2-4-fluorophenyl,2-4-fluorophenyl-1h-1,3-benzodiazole,2-4-fluorophenyl-1h-benzoimidazole,p-fluorophenyl-2 benzimidazole,2-4-fluoro-phenyl-1h-benzoimidazole,2-4-fluorophenyl-1h-benzo d imidazole,p-fluorophenyl-2 benzimidazole french,2-4-fluorophenyl benzimidazole,benzimidazole, 2-p-fluorophenyl-7ci,8ci
InChI Key	FPWUSPPQEHBWHC-UHFFFAOYSA-N
Molecular Formula	C13H9FN2

4,5-Dicyano-2-phenylimidazole, 97%, Thermo Scientific Chemicals

CAS: 50847-06-8 Molecular Formula: C11H6N4 Molecular Weight (g/mol): 194.20 MDL Number: MFCD05863325 InChI Key: PGSHQANDAMACEF-UHFFFAOYSA-N Synonym: 2-phenyl-4,5-dicyanoimidazole,2-phenylimidazole-4,5-dicarbonitrile,phenylimidazoledicarbonitrile,2-phenyl-1h-imidazol-4,5-dikohlenitrile,1h-imidazole-4,5-dicarbonitrile,2-phenyl,1h-imidazole-4,5-dicarbonitrile, 2-phenyl PubChem CID: 820939 IUPAC Name: 2-phenyl-1H-imidazole-4,5-dicarbonitrile SMILES: N#CC1=C(N=C(N1)C1=CC=CC=C1)C#N

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Specifications

PubChem CID	820939
CAS	50847-06-8
Molecular Weight (g/mol)	194.20
MDL Number	MFCD05863325
SMILES	N#CC1=C(N=C(N1)C1=CC=CC=C1)C#N
Synonym	2-phenyl-4,5-dicyanoimidazole,2-phenylimidazole-4,5-dicarbonitrile,phenylimidazoledicarbonitrile,2-phenyl-1h-imidazol-4,5-dikohlenitrile,1h-imidazole-4,5-dicarbonitrile,2-phenyl,1h-imidazole-4,5-dicarbonitrile, 2-phenyl
IUPAC Name	2-phenyl-1H-imidazole-4,5-dicarbonitrile
InChI Key	PGSHQANDAMACEF-UHFFFAOYSA-N
Molecular Formula	C11H6N4

2,5-Diiodo-1-methylimidazole, 98%, Thermo Scientific Chemicals

CAS: 86026-81-5 Molecular Formula: C4H4I2N2 Molecular Weight (g/mol): 333.899 MDL Number: MFCD02179540 InChI Key: SZYKHAFVWJNSQU-UHFFFAOYSA-N PubChem CID: 335838 IUPAC Name: 2,5-diiodo-1-methylimidazole SMILES: CN1C(=CN=C1I)I

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Specifications

PubChem CID	335838
CAS	86026-81-5
Molecular Weight (g/mol)	333.899
MDL Number	MFCD02179540
SMILES	CN1C(=CN=C1I)I
IUPAC Name	2,5-diiodo-1-methylimidazole
InChI Key	SZYKHAFVWJNSQU-UHFFFAOYSA-N
Molecular Formula	C4H4I2N2

1-phenyl-1H-imidazole-2-carbaldehyde, Thermo Scientific™

CAS: 6002-15-9 Molecular Formula: C10H8N2O Molecular Weight (g/mol): 172.187 InChI Key: VJDRBJPZIHUDNE-UHFFFAOYSA-N Synonym: 1-phenyl-1h-imidazole-2-carbaldehyde,1h-imidazole-2-carboxaldehyde, 1-phenyl,1h-imidazole-2-carbaldehyde, 1-phenyl,1-phenyl-2-formylimidazole,1-phenylimidazole-2-carboxaldehyde PubChem CID: 6424701 IUPAC Name: 1-phenylimidazole-2-carbaldehyde SMILES: C1=CC=C(C=C1)N2C=CN=C2C=O

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Specifications

PubChem CID	6424701
CAS	6002-15-9
Molecular Weight (g/mol)	172.187
SMILES	C1=CC=C(C=C1)N2C=CN=C2C=O
Synonym	1-phenyl-1h-imidazole-2-carbaldehyde,1h-imidazole-2-carboxaldehyde, 1-phenyl,1h-imidazole-2-carbaldehyde, 1-phenyl,1-phenyl-2-formylimidazole,1-phenylimidazole-2-carboxaldehyde
IUPAC Name	1-phenylimidazole-2-carbaldehyde
InChI Key	VJDRBJPZIHUDNE-UHFFFAOYSA-N
Molecular Formula	C10H8N2O

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