N-(1H-benzimidazol-2-ylmethyl)-1-(2-methoxyphenyl)methanamine

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Basic information

CAS: 176648-48-9
Standard SMILES: COc1ccccc1CNCc1nc2ccccc2[nH]1
InChIKey: PKYQXJSCPUVPKI-UHFFFAOYSA-N
Molecular formula: C16H17N3O
Average molar mass: 267.33 g/mol
Monoisotopic mass: 267.13716217

Names & identifiers

Preferred name: N-(1H-benzimidazol-2-ylmethyl)-1-(2-methoxyphenyl)methanamine
IUPAC: N-(1H-benzimidazol-2-ylmethyl)-1-(2-methoxyphenyl)methanamine

Names & synonyms

NSC681111N-(1H-benzimidazol-2-ylmethyl)-1-(2-methoxyphenyl)methanamineCHEMBL2009357DTXSID001191658AKOS015972651176648-48-9NCI60_028937N-[(2-Methoxyphenyl)methyl]-1H-benzimidazole-2-methanamine1-(1H-Benzimidazol-2-yl)-N-[(2-methoxyphenyl)methyl]methanamineN-(1H-Benzimidazol-2-ylmethyl)(2-methoxyphenyl)methanamine hydrochloride

Database identifiers

CAS: 176648-48-9
PubChem CID: 387358
DTXSID: DTXSID001191658
ChEMBL: CHEMBL2009357

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 49.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 299

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Compound notes

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