1-(4-phenylbenzoyl)-3-[1-(propan-2-yl)-1H-imidazol-2-yl]piperidine

• ChemBase ID: 529232
• Molecular Formular: C24H27N3O
• Molecular Mass: 373.49068
• Monoisotopic Mass: 373.2154125
• SMILES: c1(n(ccn1)C(C)C)C1CN(C(=O)c2ccc(cc2)c2ccccc2)CCC1
• Canonical SMILES: O=C(c1ccc(cc1)c1ccccc1)N1CCCC(C1)c1nccn1C(C)C
• InChI: InChI=1S/C24H27N3O/c1-18(2)27-16-14-25-23(27)22-9-6-15-26(17-22)24(28)21-12-10-20(11-13-21)19-7-4-3-5-8-19/h3-5,7-8,10-14,16,18,22H,6,9,15,17H2,1-2H3
• InChIKey: PNBVNDHOEOTPCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-phenylbenzoyl)-3-[1-(propan-2-yl)-1H-imidazol-2-yl]piperidine
• IUPAC Traditional name: 3-(1-isopropylimidazol-2-yl)-1-(4-phenylbenzoyl)piperidine
• Synonyms: 1-(4-biphenylylcarbonyl)-3-(1-isopropyl-1H-imidazol-2-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6906471
• LogD (pH = 7.4): 4.3183165
• Log P: 4.345727
• Molar Refractivity: 113.1678 cm^3
• Polarizability: 44.48845 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.15
• LOG S: -4.61
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4