3-[4-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methoxypyridine

• ChemBase ID: 702223
• Molecular Formular: C17H17N3O2
• Molecular Mass: 295.33578
• Monoisotopic Mass: 295.1320768
• SMILES: c1(nc(c[nH]1)c1ccc(cc1)OCC)c1c(nccc1)OC
• Canonical SMILES: CCOc1ccc(cc1)c1c[nH]c(n1)c1cccnc1OC
• InChI: InChI=1S/C17H17N3O2/c1-3-22-13-8-6-12(7-9-13)15-11-19-16(20-15)14-5-4-10-18-17(14)21-2/h4-11H,3H2,1-2H3,(H,19,20)
• InChIKey: OKXVEBQBBIDGLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[4-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methoxypyridine
• IUPAC Traditional name: 3-[4-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methoxypyridine
• Synonyms: 3-[4-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methoxypyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.467466
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.2565935
• LogD (pH = 7.4): 3.3298447
• Log P: 3.3308723
• Molar Refractivity: 94.7102 cm^3
• Polarizability: 34.376522 Å^3
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.26
• LOG S: -4.99
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 5