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

• ChemBase ID: 836664
• Molecular Formular: C14H17N3O
• Molecular Mass: 243.30428
• Monoisotopic Mass: 243.13716218
• SMILES: c12C(c3c(cc(cc3)C)OC)NCCc2[nH]cn1
• Canonical SMILES: COc1cc(C)ccc1C1NCCc2c1nc[nH]2
• InChI: InChI=1S/C14H17N3O/c1-9-3-4-10(12(7-9)18-2)13-14-11(5-6-15-13)16-8-17-14/h3-4,7-8,13,15H,5-6H2,1-2H3,(H,16,17)
• InChIKey: RVWMULJOSBHFAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.942841
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.15381037
• LogD (pH = 7.4): 1.3530818
• Log P: 1.5179642
• Molar Refractivity: 70.8984 cm^3
• Polarizability: 27.254036 Å^3
• Polar Surface Area: 49.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.17
• LOG S: -0.97
• Polar Surface Area: 49.94 Å^2
• Rotatable Bonds: 2