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

• ChemBase ID: 484702
• Molecular Formular: C22H20N2O3
• Molecular Mass: 360.4058
• Monoisotopic Mass: 360.14739251
• SMILES: c1(c2oc(cc2)CO)c(ncn1CCOc1ccccc1)c1ccccc1
• Canonical SMILES: OCc1ccc(o1)c1n(CCOc2ccccc2)cnc1c1ccccc1
• InChI: InChI=1S/C22H20N2O3/c25-15-19-11-12-20(27-19)22-21(17-7-3-1-4-8-17)23-16-24(22)13-14-26-18-9-5-2-6-10-18/h1-12,16,25H,13-15H2
• InChIKey: RDIDITKEHMJZGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.743728
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.488737
• LogD (pH = 7.4): 3.5350707
• Log P: 3.5357018
• Molar Refractivity: 103.3239 cm^3
• Polarizability: 42.29334 Å^3
• Polar Surface Area: 60.42 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.7
• LOG S: -4.99
• Polar Surface Area: 60.42 Å^2
• Rotatable Bonds: 7