{3-[(4-fluorophenyl)methyl]-1-{[1-(3-methylphenyl)-1H-imidazol-2-yl]methyl}piperidin-3-yl}methanol

• ChemBase ID: 346059
• Molecular Formular: C24H28FN3O
• Molecular Mass: 393.4970232
• Monoisotopic Mass: 393.22164075
• SMILES: c1(n(c2cc(ccc2)C)ccn1)CN1CC(Cc2ccc(F)cc2)(CO)CCC1
• Canonical SMILES: OCC1(CCCN(C1)Cc1nccn1c1cccc(c1)C)Cc1ccc(cc1)F
• InChI: InChI=1S/C24H28FN3O/c1-19-4-2-5-22(14-19)28-13-11-26-23(28)16-27-12-3-10-24(17-27,18-29)15-20-6-8-21(25)9-7-20/h2,4-9,11,13-14,29H,3,10,12,15-18H2,1H3
• InChIKey: ULKVVHGYICHRHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[(4-fluorophenyl)methyl]-1-{[1-(3-methylphenyl)-1H-imidazol-2-yl]methyl}piperidin-3-yl}methanol
• IUPAC Traditional name: {3-[(4-fluorophenyl)methyl]-1-{[1-(3-methylphenyl)imidazol-2-yl]methyl}piperidin-3-yl}methanol
• Synonyms: (3-(4-fluorobenzyl)-1-{[1-(3-methylphenyl)-1H-imidazol-2-yl]methyl}-3-piperidinyl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.060433
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3661249
• LogD (pH = 7.4): 3.9521136
• Log P: 4.298038
• Molar Refractivity: 124.6161 cm^3
• Polarizability: 44.497437 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.02
• LOG S: -4.46
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 6