4-(4-ethoxyphenyl)-2-(oxolan-3-yl)-1H-imidazole

• ChemBase ID: 476686
• Molecular Formular: C15H18N2O2
• Molecular Mass: 258.31562
• Monoisotopic Mass: 258.13682783
• SMILES: n1c([nH]cc1c1ccc(cc1)OCC)C1COCC1
• Canonical SMILES: CCOc1ccc(cc1)c1c[nH]c(n1)C1COCC1
• InChI: InChI=1S/C15H18N2O2/c1-2-19-13-5-3-11(4-6-13)14-9-16-15(17-14)12-7-8-18-10-12/h3-6,9,12H,2,7-8,10H2,1H3,(H,16,17)
• InChIKey: WMCWUCIVUMSTAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-ethoxyphenyl)-2-(oxolan-3-yl)-1H-imidazole
• IUPAC Traditional name: 4-(4-ethoxyphenyl)-2-(oxolan-3-yl)-1H-imidazole
• Synonyms: 4-(4-ethoxyphenyl)-2-(tetrahydrofuran-3-yl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.764255
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7943704
• LogD (pH = 7.4): 2.327695
• Log P: 2.3423975
• Molar Refractivity: 73.4252 cm^3
• Polarizability: 29.70679 Å^3
• Polar Surface Area: 47.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.45
• LOG S: -3.18
• Polar Surface Area: 47.14 Å^2
• Rotatable Bonds: 4