N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide

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Basic information

CAS: 176693-60-0
Standard SMILES: CCC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1
InChIKey: VPCQBVROXHOCLQ-UHFFFAOYSA-N
Molecular formula: C16H15N3O
Average molar mass: 265.31 g/mol
Monoisotopic mass: 265.12151211

Names & identifiers

Preferred name: N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide
IUPAC: N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide

Names & synonyms

N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide176693-60-0Oprea1_182623SCHEMBL1902606DTXSID50391950VPCQBVROXHOCLQ-UHFFFAOYSA-NN-[2-(1H-benzimidazol-2-yl)phenyl] propanamideN-[2-(1H-1,3-Benzimidazol-2-yl)phenyl]propanamide

Database identifiers

CAS: 176693-60-0
PubChem CID: 3378950
DTXSID: DTXSID50391950

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 57.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 347

Related reactions

2 records

New reaction record

HRID 1136385As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1439843As productuspto-grants-1996_03

Compound notes

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