(2S)-1-{5-[2-(furan-2-yl)phenyl]-4-phenyl-1H-imidazol-1-yl}propan-2-ol

• ChemBase ID: 610391
• Molecular Formular: C22H20N2O2
• Molecular Mass: 344.4064
• Monoisotopic Mass: 344.15247789
• SMILES: c1(n(cnc1c1ccccc1)C[C@@H](O)C)c1c(c2occc2)cccc1
• Canonical SMILES: C[C@@H](Cn1cnc(c1c1ccccc1c1ccco1)c1ccccc1)O
• InChI: InChI=1S/C22H20N2O2/c1-16(25)14-24-15-23-21(17-8-3-2-4-9-17)22(24)19-11-6-5-10-18(19)20-12-7-13-26-20/h2-13,15-16,25H,14H2,1H3/t16-/m0/s1
• InChIKey: MNHMKHJISJNACE-INIZCTEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-1-{5-[2-(furan-2-yl)phenyl]-4-phenyl-1H-imidazol-1-yl}propan-2-ol
• IUPAC Traditional name: (2S)-1-{5-[2-(furan-2-yl)phenyl]-4-phenylimidazol-1-yl}propan-2-ol
• Synonyms: (2S)-1-{5-[2-(2-furyl)phenyl]-4-phenyl-1H-imidazol-1-yl}propan-2-ol

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 1
• Log P: 3.74
• LOG S: -4.9
• Polar Surface Area: 51.19 Å^2

JChem

• Lipinski's Rule of Five: true
• Acid pKa: 15.179617
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.9171052
• LogD (pH = 7.4): 4.109423
• Log P: 4.112699
• Molar Refractivity: 101.9256 cm^3
• Polarizability: 43.096756 Å^3
• Polar Surface Area: 51.19 Å^2
• Rotatable Bonds: 4