Ketone, 1-(2-(diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-benzimidazolyl methyl

HCID 25957

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Basic information

CAS: 13406-60-5
Standard SMILES: CCOc1ccc(Cc2nc3cc(C(C)=O)ccc3n2CCN(CC)CC)cc1
InChIKey: CFGBPNSLTKLAKK-UHFFFAOYSA-N
Molecular formula: C24H31N3O2
Average molar mass: 393.5 g/mol
Monoisotopic mass: 393.24162724

Names & identifiers

Preferred name: Ketone, 1-(2-(diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-benzimidazolyl methyl
IUPAC: 1-[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]ethanone

Names & synonyms

BRN 0769007KETONE, 1-(2-(DIETHYLAMINO)ETHYL)-2-(p-ETHOXYBENZYL)-5-BENZIMIDAZOLYL METHYL13406-60-5DTXSID101584805-25-02-00277 (Beilstein Handbook Reference)1-(2-(Diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-benzimidazolyl methyl ketoneRefChem:350370DTXCID8080971CHEMBL44688891-{1-[2-(Diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]-1H-1,3-benzimidazol-5-yl}ethan-1-one

Database identifiers

CAS: 13406-60-5
PubChem CID: 25957
DTXSID: DTXSID10158480
ChEMBL: CHEMBL4468889

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 47.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 29
Formal charge: 0
Complexity: 502

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