1-Benzyl-1H-imidazole-2-carboxamide

Substructure search Find similar structures

Basic information

CAS: 16042-27-6
Standard SMILES: NC(=O)c1nccn1Cc1ccccc1
InChIKey: XZWCMCSZZNJEDY-UHFFFAOYSA-N
Molecular formula: C11H11N3O
Average molar mass: 201.22 g/mol
Monoisotopic mass: 201.09021198

Names & identifiers

Preferred name: 1-Benzyl-1H-imidazole-2-carboxamide
IUPAC: 1-benzylimidazole-2-carboxamide
English name: 1-Benzyl-1H-imidazole-2-carboxamide
Molecular formula: C11H11N3O
Molecular weight: 201.22

Names & synonyms

1-Benzyl-1H-imidazole-2-carboxamide16042-27-61-benzylimidazole-2-carboxamideImidazole-2-carboxamide, 1-benzyl-SCHEMBL2972631SCHEMBL3313595CHEMBL4550232DTXSID30340289XZWCMCSZZNJEDY-UHFFFAOYSA-NAKOS0219442721-Benzyl-1H-imidazole-2-carboxamide #1H-Imidazole-2-carboxamide, 1-(phenylmethyl)-

Database identifiers

CAS: 16042-27-6
PubChem CID: 563295
DTXSID: DTXSID30340289
ChEMBL: CHEMBL4550232
Nikkaji: J110.684H

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 60.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 226

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…