4-[5-(2-fluoro-3-methoxyphenyl)-4-phenyl-1H-imidazol-1-yl]piperidine

• ChemBase ID: 562949
• Molecular Formular: C21H22FN3O
• Molecular Mass: 351.4172832
• Monoisotopic Mass: 351.17469056
• SMILES: c1(n(cnc1c1ccccc1)C1CCNCC1)c1c(c(OC)ccc1)F
• Canonical SMILES: COc1cccc(c1F)c1c(ncn1C1CCNCC1)c1ccccc1
• InChI: InChI=1S/C21H22FN3O/c1-26-18-9-5-8-17(19(18)22)21-20(15-6-3-2-4-7-15)24-14-25(21)16-10-12-23-13-11-16/h2-9,14,16,23H,10-13H2,1H3
• InChIKey: YQGNDOCVVXPZOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-(2-fluoro-3-methoxyphenyl)-4-phenyl-1H-imidazol-1-yl]piperidine
• IUPAC Traditional name: 4-[5-(2-fluoro-3-methoxyphenyl)-4-phenylimidazol-1-yl]piperidine
• Synonyms: 4-[5-(2-fluoro-3-methoxyphenyl)-4-phenyl-1H-imidazol-1-yl]piperidine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 39.08 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 1
• Log P: 3.23
• LOG S: -3.52

JChem

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.043026455
• LogD (pH = 7.4): 0.6932976
• Log P: 3.3075428
• Molar Refractivity: 100.5234 cm^3
• Polarizability: 41.174957 Å^3
• Polar Surface Area: 39.08 Å^2