3-[5-(3-fluoro-5-methylphenyl)-4-phenyl-1H-imidazol-1-yl]propan-1-ol

• ChemBase ID: 521784
• Molecular Formular: C19H19FN2O
• Molecular Mass: 310.3653632
• Monoisotopic Mass: 310.14814146
• SMILES: n1c(c(n(c1)CCCO)c1cc(cc(c1)C)F)c1ccccc1
• Canonical SMILES: OCCCn1cnc(c1c1cc(C)cc(c1)F)c1ccccc1
• InChI: InChI=1S/C19H19FN2O/c1-14-10-16(12-17(20)11-14)19-18(15-6-3-2-4-7-15)21-13-22(19)8-5-9-23/h2-4,6-7,10-13,23H,5,8-9H2,1H3
• InChIKey: FZDYSLSBXSXNMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[5-(3-fluoro-5-methylphenyl)-4-phenyl-1H-imidazol-1-yl]propan-1-ol
• IUPAC Traditional name: 3-[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]propan-1-ol
• Synonyms: 3-[5-(3-fluoro-5-methylphenyl)-4-phenyl-1H-imidazol-1-yl]propan-1-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.923079
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4753108
• LogD (pH = 7.4): 3.700679
• Log P: 3.704735
• Molar Refractivity: 90.1027 cm^3
• Polarizability: 36.556362 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.71
• LOG S: -4.63
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 5