2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide

C17H14N4O — CID 168521648

IUPAC2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide
SMILESCc1cccc(-n2cnc3cc(NC(=O)CC#N)ccc32)c1
InChIInChI=1S/C17H14N4O/c1-12-3-2-4-14(9-12)21-11-19-15-10-13(5-6-16(15)21)20-17(22)7-8-18/h2-6,9-11H,7H2,1H3,(H,20,22)
InChIKeyGBNVGNRSHVXZEL-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.19
Rot. Bonds3

About 2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide

2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide (PubChem CID 168521648) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide
PubChem CID168521648
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide
SMILESCc1cccc(-n2cnc3cc(NC(=O)CC#N)ccc32)c1
InChIInChI=1S/C17H14N4O/c1-12-3-2-4-14(9-12)21-11-19-15-10-13(5-6-16(15)21)20-17(22)7-8-18/h2-6,9-11H,7H2,1H3,(H,20,22)
InChIKeyGBNVGNRSHVXZEL-UHFFFAOYSA-N
XLogP3.19
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(3-methylphenyl)benzimidazol-5-yl]hydrazinylidene]propanedinitrile
CID 169339187
2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 115172919
1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3279711
2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide
CID 168520968
1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzimidazole-5-carboxamide
CID 154851573
1-(3-methylphenyl)-N-octylbenzimidazole-5-carboxamide
CID 3614186
2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
CID 108922788
N-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-5-yl]-2-cyanoacetamide
CID 168523727
1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 86268678
N-[3-(5-bromobenzimidazol-1-yl)phenyl]-4,4,4-trifluorobutanamide
CID 147075477
3-(hydroxymethyl)-5-oxo-5-[(1-phenylbenzimidazol-5-yl)amino]pentanoic acid
CID 166434630
N-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide
CID 168521415

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide?
The IUPAC name of 2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide (CID 168521648) is 2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide is Cc1cccc(-n2cnc3cc(NC(=O)CC#N)ccc32)c1.
What is the InChIKey of 2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide?
The InChIKey is GBNVGNRSHVXZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-12-3-2-4-14(9-12)21-11-19-15-10-13(5-6-16(15)21)20-17(22)7-8-18/h2-6,9-11H,7H2,1H3,(H,20,22).
What are the key properties of 2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide?
2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide has a molecular weight of 290.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide is sourced from PubChem (CID 168521648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).