1H-Benzimidazol-6-amine, 2-(4-methoxyphenyl)-

Substructure search Find similar structures

Basic information

CAS: 40655-15-0
Standard SMILES: COc1ccc(-c2nc3ccc(N)cc3[nH]2)cc1
InChIKey: GQXFFKQITYPJPY-UHFFFAOYSA-N
Molecular formula: C14H13N3O
Average molar mass: 239.27 g/mol
Monoisotopic mass: 239.10586205

Names & identifiers

Preferred name: 1H-Benzimidazol-6-amine, 2-(4-methoxyphenyl)-
IUPAC: 2-(4-methoxyphenyl)-3H-benzimidazol-5-amine

Names & synonyms

1H-Benzimidazol-6-amine, 2-(4-methoxyphenyl)-40655-15-0SCHEMBL1662751SCHEMBL1662754GQXFFKQITYPJPY-UHFFFAOYSA-NDTXSID301263478AKOS0001110312-(4-methoxyphenyl)-5-aminobenzimidazoleDB-0870612-(4-Methoxyphenyl)-1H-benzimidazol-6-amine2-(4-Methoxyphenyl)-1H-benzo[d]imidazol-6-amine

Database identifiers

CAS: 40655-15-0
PubChem CID: 895553
DTXSID: DTXSID301263478

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 63.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 278

Related reactions

2 records

New reaction record

HRID 2284164As reactantuspto-grants-2015_09

HRID 2284166As reactantuspto-grants-2015_09

Compound notes

Loading…