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

• ChemBase ID: 722882
• Molecular Formular: C16H16N2O3
• Molecular Mass: 284.30984
• Monoisotopic Mass: 284.11609238
• SMILES: n1c(c2oc(cc2)CO)[nH]cc1c1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)c1c[nH]c(n1)c1ccc(o1)CO
• InChI: InChI=1S/C16H16N2O3/c1-2-20-12-5-3-11(4-6-12)14-9-17-16(18-14)15-8-7-13(10-19)21-15/h3-9,19H,2,10H2,1H3,(H,17,18)
• InChIKey: GYJCNDJQDPXRQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.639644
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.3100529
• LogD (pH = 7.4): 2.3244452
• Log P: 2.3246565
• Molar Refractivity: 89.1747 cm^3
• Polarizability: 32.05457 Å^3
• Polar Surface Area: 71.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.53
• LOG S: -3.43
• Polar Surface Area: 71.28 Å^2
• Rotatable Bonds: 5