4-(4-ethoxyphenyl)-2-(6-methoxy-2H-1,3-benzodioxol-5-yl)-1H-imidazole

• ChemBase ID: 411774
• Molecular Formular: C19H18N2O4
• Molecular Mass: 338.35722
• Monoisotopic Mass: 338.12665707
• SMILES: c1(nc(c[nH]1)c1ccc(cc1)OCC)c1c(cc2c(c1)OCO2)OC
• Canonical SMILES: CCOc1ccc(cc1)c1c[nH]c(n1)c1cc2OCOc2cc1OC
• InChI: InChI=1S/C19H18N2O4/c1-3-23-13-6-4-12(5-7-13)15-10-20-19(21-15)14-8-17-18(25-11-24-17)9-16(14)22-2/h4-10H,3,11H2,1-2H3,(H,20,21)
• InChIKey: UWOSWQWCAOPSQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-ethoxyphenyl)-2-(6-methoxy-2H-1,3-benzodioxol-5-yl)-1H-imidazole
• IUPAC Traditional name: 4-(4-ethoxyphenyl)-2-(6-methoxy-2H-1,3-benzodioxol-5-yl)-1H-imidazole
• Synonyms: 4-(4-ethoxyphenyl)-2-(6-methoxy-1,3-benzodioxol-5-yl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.769493
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.4636014
• LogD (pH = 7.4): 3.575671
• Log P: 3.5773206
• Molar Refractivity: 102.3205 cm^3
• Polarizability: 37.69937 Å^3
• Polar Surface Area: 65.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 4.07
• LOG S: -5.14
• Polar Surface Area: 65.6 Å^2
• Rotatable Bonds: 5