(5-{1-[1-(furan-2-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}furan-2-yl)methanol

• ChemBase ID: 694267
• Molecular Formular: C20H18N2O3
• Molecular Mass: 334.36852
• Monoisotopic Mass: 334.13174245
• SMILES: n1(c(c2oc(cc2)CO)c(nc1)c1ccccc1)C(c1occc1)C
• Canonical SMILES: OCc1ccc(o1)c1c(ncn1C(c1ccco1)C)c1ccccc1
• InChI: InChI=1S/C20H18N2O3/c1-14(17-8-5-11-24-17)22-13-21-19(15-6-3-2-4-7-15)20(22)18-10-9-16(12-23)25-18/h2-11,13-14,23H,12H2,1H3
• InChIKey: JYRLPMLOOUYKEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-{1-[1-(furan-2-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}furan-2-yl)methanol
• IUPAC Traditional name: (5-{3-[1-(furan-2-yl)ethyl]-5-phenylimidazol-4-yl}furan-2-yl)methanol
• Synonyms: (5-{1-[1-(2-furyl)ethyl]-4-phenyl-1H-imidazol-5-yl}-2-furyl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.742925
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0516572
• LogD (pH = 7.4): 3.0923965
• Log P: 3.0929468
• Molar Refractivity: 94.194 cm^3
• Polarizability: 38.452816 Å^3
• Polar Surface Area: 64.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.18
• LOG S: -4.36
• Polar Surface Area: 64.33 Å^2
• Rotatable Bonds: 5