{5-[4-(3,4-diethoxyphenyl)-1H-imidazol-2-yl]furan-2-yl}methanol

• ChemBase ID: 573601
• Molecular Formular: C18H20N2O4
• Molecular Mass: 328.3624
• Monoisotopic Mass: 328.14230713
• SMILES: n1c(c2oc(cc2)CO)[nH]cc1c1cc(c(cc1)OCC)OCC
• Canonical SMILES: CCOc1cc(ccc1OCC)c1c[nH]c(n1)c1ccc(o1)CO
• InChI: InChI=1S/C18H20N2O4/c1-3-22-15-7-5-12(9-17(15)23-4-2)14-10-19-18(20-14)16-8-6-13(11-21)24-16/h5-10,21H,3-4,11H2,1-2H3,(H,19,20)
• InChIKey: RDBMRTQYPQJDOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.55794
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.5094352
• LogD (pH = 7.4): 2.52358
• Log P: 2.5237932
• Molar Refractivity: 100.3865 cm^3
• Polarizability: 36.409084 Å^3
• Polar Surface Area: 80.51 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.74
• LOG S: -3.93
• Polar Surface Area: 80.51 Å^2
• Rotatable Bonds: 7