3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(2-phenylbenzoyl)piperidine

• ChemBase ID: 856868
• Molecular Formular: C25H27N3O
• Molecular Mass: 385.50138
• Monoisotopic Mass: 385.2154125
• SMILES: c1(n(CC2CC2)ccn1)C1CN(C(=O)c2c(c3ccccc3)cccc2)CCC1
• Canonical SMILES: O=C(c1ccccc1c1ccccc1)N1CCCC(C1)c1nccn1CC1CC1
• InChI: InChI=1S/C25H27N3O/c29-25(23-11-5-4-10-22(23)20-7-2-1-3-8-20)28-15-6-9-21(18-28)24-26-14-16-27(24)17-19-12-13-19/h1-5,7-8,10-11,14,16,19,21H,6,9,12-13,15,17-18H2
• InChIKey: GHGQRHYWJVWHAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(2-phenylbenzoyl)piperidine
• IUPAC Traditional name: 3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-(2-phenylbenzoyl)piperidine
• Synonyms: 1-(biphenyl-2-ylcarbonyl)-3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.686284
• LogD (pH = 7.4): 4.3241377
• Log P: 4.3529215
• Molar Refractivity: 115.9424 cm^3
• Polarizability: 45.59937 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: 2.98
• LOG S: -4.55
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 5