N-(1H-benzimidazol-2-yl)-3-cyclopentyl-2-(3,4-dichloro-phenyl)-propionamide

HCID 10179216

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(Nc1nc2ccccc2[nH]1)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIKey: CLTWWLUHQCWZQM-UHFFFAOYSA-N
Molecular formula: C21H21Cl2N3O
Average molar mass: 402.3 g/mol
Monoisotopic mass: 401.1061677

Names & identifiers

Preferred name: N-(1H-benzimidazol-2-yl)-3-cyclopentyl-2-(3,4-dichloro-phenyl)-propionamide
IUPAC: N-(1H-benzimidazol-2-yl)-3-cyclopentyl-2-(3,4-dichlorophenyl)propanamide

Names & synonyms

SCHEMBL2658611CLTWWLUHQCWZQM-UHFFFAOYSA-NN-(1H-benzimidazol-2-yl)-3-cyclopentyl-2-(3,4-dichloro-phenyl)-propionamideN-(1H-benzoimidazol-2-yl)-3-cyclopentyl-2-(3,4-dichloro-phenyl)-propionamide

Database identifiers

PubChem CID: 10179216

Properties

Computed structural properties

XLogP: 6.4
Topological polar surface area: 57.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 514

Related reactions

6 records

New reaction record

HRID 149601As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1125426As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1265434As productuspto-grants-2003_04

HRID 1280011As productuspto-grants-2002_09

HRID 2304143As productuspto-grants-2002_08

HRID 2306295As productuspto-grants-2002_08

Compound notes

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