N-(3-cyanophenyl)-3-phenylimidazole-4-carboxamide

C17H12N4O — CID 9120192

IUPACN-(3-cyanophenyl)-3-phenylimidazole-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cncn2-c2ccccc2)c1
InChIInChI=1S/C17H12N4O/c18-10-13-5-4-6-14(9-13)20-17(22)16-11-19-12-21(16)15-7-2-1-3-8-15/h1-9,11-12H,(H,20,22)
InChIKeyOLHFNMSTDICMSG-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.00
Rot. Bonds3

About N-(3-cyanophenyl)-3-phenylimidazole-4-carboxamide

N-(3-cyanophenyl)-3-phenylimidazole-4-carboxamide (PubChem CID 9120192) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-phenylimidazole-4-carboxamide
PubChem CID9120192
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC NameN-(3-cyanophenyl)-3-phenylimidazole-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cncn2-c2ccccc2)c1
InChIInChI=1S/C17H12N4O/c18-10-13-5-4-6-14(9-13)20-17(22)16-11-19-12-21(16)15-7-2-1-3-8-15/h1-9,11-12H,(H,20,22)
InChIKeyOLHFNMSTDICMSG-UHFFFAOYSA-N
XLogP3.00
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-anilino-6-oxo-1H-purin-9-yl)butyl]-4-phenyl-piperidine-4-carbonitrile
CID 135424528
2-anilino-9-[4-(2-phenyl-1-piperidyl)butyl]-1H-purin-6-one
CID 135514486
4-[(5-Formylimidazol-1-yl)methyl]benzonitrile
CID 10632289
3H-Imidazole-4-carboxylic acid, 3-methyl-5-[(pyridin-4-ylmethyl)amino]-, (4-tert-butylphenyl)amide
CID 6425419
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone
CID 155669602
1-methyl-N-(3-methyl-4-(trifluoromethyl)phenyl)-4-(pyridin-4-ylmethylamino)-1H-imidazole-5-carboxamide
CID 44439457
1-(2-bromoethyl)-N-phenyl-1H-imidazole-4-carboxamide
CID 1240012
N-(2-fluoro-5-methylphenyl)-3-phenylimidazole-4-carboxamide
CID 8002584
4-{5-[(2-Oxo-1-pyridin-3-yl-pyrrolidin-3-ylamino)-methyl]-imidazol-1-ylmethyl}-benzonitrile
CID 9799609
4-{5-[(1-Benzyl-2-oxo-pyrrolidin-3-ylamino)-methyl]-imidazol-1-ylmethyl}-benzonitrile
CID 9821510
(S)-4-((5-(((3-aminopropyl)(1-benzyl-2-oxopyrrolidin-3-yl)amino)methyl)-1H-imidazol-1-yl)methyl)benzonitrile
CID 9824630
4-{5-[(2-Oxo-1-phenyl-pyrrolidin-3-ylamino)-methyl]-imidazol-1-ylmethyl}-benzonitrile
CID 9885760

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-3-phenylimidazole-4-carboxamide (CID 9120192) is N-(3-cyanophenyl)-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-3-phenylimidazole-4-carboxamide is N#Cc1cccc(NC(=O)c2cncn2-c2ccccc2)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-phenylimidazole-4-carboxamide?
The InChIKey is OLHFNMSTDICMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c18-10-13-5-4-6-14(9-13)20-17(22)16-11-19-12-21(16)15-7-2-1-3-8-15/h1-9,11-12H,(H,20,22).
What are the key properties of N-(3-cyanophenyl)-3-phenylimidazole-4-carboxamide?
N-(3-cyanophenyl)-3-phenylimidazole-4-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 9120192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).