Carbamic acid, (1-(phenoxyacetyl)-1H-benzimidazol-2-yl)-, methyl ester

HCID 39301

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Basic information

CAS: 42784-13-4
Standard SMILES: COC(=O)Nc1nc2ccccc2n1C(=O)COc1ccccc1
InChIKey: BHWHSIBHVBDSRN-UHFFFAOYSA-N
Molecular formula: C17H15N3O4
Average molar mass: 325.32 g/mol
Monoisotopic mass: 325.10625597

Overview

RN given refers to parent cpd

Names & identifiers

Preferred name: Carbamic acid, (1-(phenoxyacetyl)-1H-benzimidazol-2-yl)-, methyl ester
IUPAC: methyl N-[1-(2-phenoxyacetyl)benzimidazol-2-yl]carbamate
English name: Benacyl
Molecular formula: C17H15N3O4
Molecular weight: 325.32

Names & synonyms

Benacyl42784-13-4DTXSID50195470CARBAMIC ACID, (1-(PHENOXYACETYL)-1H-BENZIMIDAZOL-2-YL)-, METHYL ESTERbenacilRefChem:116939DTXCID601179611-phenoxyacetyl-2-methoxycarbonylaminobenzimidazole(1-(phenoxyacetyl)-1H-benzimidazol-2-yl)carbamic acid, methyl esterBRN 09347381-Phenoxyacetyl-2-carbomethoxyaminobenzimidazole(1-(Phenoxyacetyl)-1H-benzimidazol-2-yl)carbamic acid methyl ester

Show more names

N-[1-(Phenoxyacetyl)-1H-benzimidazol-2-yl]carbamic acid methyl esterCarbamic acid, [1-(phenoxyacetyl)-1H-benzimidazol-2-yl]-, methyl ester (9CI)

Oprea1_2428605-25-10-00406 (Beilstein Handbook Reference)((1-Phenoxyacetyl)-1H-benzimidazol-2-yl)carbamic acid, methyl esterMethyl [1-(phenoxyacetyl)-1H-1,3-benzimidazol-2-yl]carbamate

Database identifiers

CAS: 42784-13-4
PubChem CID: 39301
DTXSID: DTXSID50195470
Nikkaji: J67.105C

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 82.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 453

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