2-[(benzyloxy)methyl]-4-(4-ethoxyphenyl)-1H-imidazole

• ChemBase ID: 356701
• Molecular Formular: C19H20N2O2
• Molecular Mass: 308.3743
• Monoisotopic Mass: 308.15247789
• SMILES: n1c(c[nH]c1COCc1ccccc1)c1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)c1c[nH]c(n1)COCc1ccccc1
• InChI: InChI=1S/C19H20N2O2/c1-2-23-17-10-8-16(9-11-17)18-12-20-19(21-18)14-22-13-15-6-4-3-5-7-15/h3-12H,2,13-14H2,1H3,(H,20,21)
• InChIKey: MOXUTZOPGWUBGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(benzyloxy)methyl]-4-(4-ethoxyphenyl)-1H-imidazole
• IUPAC Traditional name: 2-[(benzyloxy)methyl]-4-(4-ethoxyphenyl)-1H-imidazole
• Synonyms: 2-[(benzyloxy)methyl]-4-(4-ethoxyphenyl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.754688
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.6654096
• LogD (pH = 7.4): 3.7590582
• Log P: 3.7604046
• Molar Refractivity: 90.4955 cm^3
• Polarizability: 36.45427 Å^3
• Polar Surface Area: 47.14 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.72
• LOG S: -5.48
• Polar Surface Area: 47.14 Å^2
• Rotatable Bonds: 7