1-[2-(4-fluorophenyl)piperidin-1-yl]-2-(2-phenyl-1H-imidazol-1-yl)ethan-1-one

• ChemBase ID: 692532
• Molecular Formular: C22H22FN3O
• Molecular Mass: 363.4279832
• Monoisotopic Mass: 363.17469056
• SMILES: n1(c(ncc1)c1ccccc1)CC(=O)N1C(c2ccc(cc2)F)CCCC1
• Canonical SMILES: Fc1ccc(cc1)C1CCCCN1C(=O)Cn1ccnc1c1ccccc1
• InChI: InChI=1S/C22H22FN3O/c23-19-11-9-17(10-12-19)20-8-4-5-14-26(20)21(27)16-25-15-13-24-22(25)18-6-2-1-3-7-18/h1-3,6-7,9-13,15,20H,4-5,8,14,16H2
• InChIKey: OQWBVVGDEMPPLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-(2-phenyl-1H-imidazol-1-yl)ethan-1-one
• IUPAC Traditional name: 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-(2-phenylimidazol-1-yl)ethanone
• Synonyms: 2-(4-fluorophenyl)-1-[(2-phenyl-1H-imidazol-1-yl)acetyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4365673
• LogD (pH = 7.4): 3.9802394
• Log P: 3.9989233
• Molar Refractivity: 113.3525 cm^3
• Polarizability: 40.015594 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: 3.83
• LOG S: -5.12
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4