2-(4-{[4-phenyl-5-(2-phenylethyl)-1H-imidazol-1-yl]methyl}piperidin-1-yl)ethan-1-ol

• ChemBase ID: 349724
• Molecular Formular: C25H31N3O
• Molecular Mass: 389.53314
• Monoisotopic Mass: 389.24671263
• SMILES: n1c(c(n(c1)CC1CCN(CC1)CCO)CCc1ccccc1)c1ccccc1
• Canonical SMILES: OCCN1CCC(CC1)Cn1cnc(c1CCc1ccccc1)c1ccccc1
• InChI: InChI=1S/C25H31N3O/c29-18-17-27-15-13-22(14-16-27)19-28-20-26-25(23-9-5-2-6-10-23)24(28)12-11-21-7-3-1-4-8-21/h1-10,20,22,29H,11-19H2
• InChIKey: SEIZDGKNYIIHIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-{[4-phenyl-5-(2-phenylethyl)-1H-imidazol-1-yl]methyl}piperidin-1-yl)ethan-1-ol
• IUPAC Traditional name: 2-(4-{[4-phenyl-5-(2-phenylethyl)imidazol-1-yl]methyl}piperidin-1-yl)ethanol
• Synonyms: 2-(4-{[4-phenyl-5-(2-phenylethyl)-1H-imidazol-1-yl]methyl}piperidin-1-yl)ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.593252
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5174413
• LogD (pH = 7.4): 2.553998
• Log P: 4.2092886
• Molar Refractivity: 119.6048 cm^3
• Polarizability: 47.36688 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.1
• LOG S: -4.54
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 8