N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C16H12N4O2 — CID 110772225

IUPACN-(4-cyanophenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESN#Cc1ccc(NC(=O)Cc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C16H12N4O2/c17-9-10-1-4-12(5-2-10)18-15(21)8-11-3-6-13-14(7-11)20-16(22)19-13/h1-7H,8H2,(H,18,21)(H2,19,20,22)
InChIKeyNVHSTRDHFZFDFQ-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.91
Rot. Bonds3

About N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 110772225) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID110772225
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC NameN-(4-cyanophenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESN#Cc1ccc(NC(=O)Cc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C16H12N4O2/c17-9-10-1-4-12(5-2-10)18-15(21)8-11-3-6-13-14(7-11)20-16(22)19-13/h1-7H,8H2,(H,18,21)(H2,19,20,22)
InChIKeyNVHSTRDHFZFDFQ-UHFFFAOYSA-N
XLogP1.91
TPSA101.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-phenylacetamide
CID 110772142
N-(4-cyanophenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide
CID 110772803
N-(1H-indazol-6-yl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772201
2-(4-cyanophenyl)-N-phenylacetamide
CID 12672919
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
2-[(4-cyanophenyl)methylsulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 112791205
N-(4-cyanophenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770491
N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771370
N-[4-(4-cyanoanilino)phenyl]-2-(3-fluorophenyl)acetamide
CID 112990067
2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 78769979
2-[4-(difluoromethoxy)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 35621741
N-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 82496271

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 110772225) is N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is N#Cc1ccc(NC(=O)Cc2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is NVHSTRDHFZFDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c17-9-10-1-4-12(5-2-10)18-15(21)8-11-3-6-13-14(7-11)20-16(22)19-13/h1-7H,8H2,(H,18,21)(H2,19,20,22).
What are the key properties of N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 292.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 110772225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).