2-(2-chlorophenyl)-1-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}ethan-1-one

• ChemBase ID: 333848
• Molecular Formular: C19H24ClN3O2
• Molecular Mass: 361.86576
• Monoisotopic Mass: 361.1557047
• SMILES: c1(C2CN(C(=O)Cc3c(Cl)cccc3)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)Cc1ccccc1Cl
• InChI: InChI=1S/C19H24ClN3O2/c1-25-12-11-22-10-8-21-19(22)16-6-4-9-23(14-16)18(24)13-15-5-2-3-7-17(15)20/h2-3,5,7-8,10,16H,4,6,9,11-14H2,1H3
• InChIKey: BJAWUSNWQGOUGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)-1-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}ethan-1-one
• IUPAC Traditional name: 2-(2-chlorophenyl)-1-{3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl}ethanone
• Synonyms: 1-[(2-chlorophenyl)acetyl]-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8037486
• LogD (pH = 7.4): 2.4345322
• Log P: 2.4623532
• Molar Refractivity: 98.7639 cm^3
• Polarizability: 38.118866 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.23
• LOG S: -3.74
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 6