1-[2-(1-methyl-1H-imidazol-2-yl)benzoyl]-2-(2-phenylethyl)piperidine

• ChemBase ID: 739251
• Molecular Formular: C24H27N3O
• Molecular Mass: 373.49068
• Monoisotopic Mass: 373.2154125
• SMILES: C(=O)(N1C(CCc2ccccc2)CCCC1)c1c(c2n(ccn2)C)cccc1
• Canonical SMILES: O=C(c1ccccc1c1nccn1C)N1CCCCC1CCc1ccccc1
• InChI: InChI=1S/C24H27N3O/c1-26-18-16-25-23(26)21-12-5-6-13-22(21)24(28)27-17-8-7-11-20(27)15-14-19-9-3-2-4-10-19/h2-6,9-10,12-13,16,18,20H,7-8,11,14-15,17H2,1H3
• InChIKey: LYDNOALDIZIWAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(1-methyl-1H-imidazol-2-yl)benzoyl]-2-(2-phenylethyl)piperidine
• IUPAC Traditional name: 1-[2-(1-methylimidazol-2-yl)benzoyl]-2-(2-phenylethyl)piperidine
• Synonyms: 1-[2-(1-methyl-1H-imidazol-2-yl)benzoyl]-2-(2-phenylethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.276927
• LogD (pH = 7.4): 4.755043
• Log P: 4.7690506
• Molar Refractivity: 123.6637 cm^3
• Polarizability: 43.794743 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.68
• LOG S: -4.21
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 5