2-[5-(furan-2-yl)-4-phenyl-1H-imidazol-1-yl]-1-phenylethan-1-ol

• ChemBase ID: 501960
• Molecular Formular: C21H18N2O2
• Molecular Mass: 330.37982
• Monoisotopic Mass: 330.13682783
• SMILES: n1(c(c(nc1)c1ccccc1)c1occc1)CC(c1ccccc1)O
• Canonical SMILES: OC(c1ccccc1)Cn1cnc(c1c1ccco1)c1ccccc1
• InChI: InChI=1S/C21H18N2O2/c24-18(16-8-3-1-4-9-16)14-23-15-22-20(17-10-5-2-6-11-17)21(23)19-12-7-13-25-19/h1-13,15,18,24H,14H2
• InChIKey: POHZBYXPJBYCSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[5-(furan-2-yl)-4-phenyl-1H-imidazol-1-yl]-1-phenylethan-1-ol
• IUPAC Traditional name: 2-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-1-phenylethanol
• Synonyms: 2-[5-(2-furyl)-4-phenyl-1H-imidazol-1-yl]-1-phenylethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.016416
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.785633
• LogD (pH = 7.4): 3.8325002
• Log P: 3.833139
• Molar Refractivity: 96.6534 cm^3
• Polarizability: 39.81556 Å^3
• Polar Surface Area: 51.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.72
• LOG S: -4.78
• Polar Surface Area: 51.19 Å^2
• Rotatable Bonds: 5