4-(2,4-diethoxy-3-methylphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

• ChemBase ID: 793765
• Molecular Formular: C17H23N3O2
• Molecular Mass: 301.38342
• Monoisotopic Mass: 301.17902699
• SMILES: c12C(c3c(c(c(cc3)OCC)C)OCC)NCCc2[nH]cn1
• Canonical SMILES: CCOc1c(C)c(OCC)ccc1C1NCCc2c1nc[nH]2
• InChI: InChI=1S/C17H23N3O2/c1-4-21-14-7-6-12(17(11(14)3)22-5-2)15-16-13(8-9-18-15)19-10-20-16/h6-7,10,15,18H,4-5,8-9H2,1-3H3,(H,19,20)
• InChIKey: VNPFBCNFFDZPQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-diethoxy-3-methylphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 4-(2,4-diethoxy-3-methylphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• Synonyms: 4-(2,4-diethoxy-3-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.942839
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.7667721
• LogD (pH = 7.4): 1.9269147
• Log P: 2.0739088
• Molar Refractivity: 86.8588 cm^3
• Polarizability: 33.455097 Å^3
• Polar Surface Area: 59.17 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.32
• LOG S: -2.37
• Polar Surface Area: 59.17 Å^2
• Rotatable Bonds: 5