2-(3-methoxyphenyl)-5-(oxan-2-ylmethyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

• ChemBase ID: 583648
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: n1c2c([nH]c1c1cc(OC)ccc1)CCN(C2)CC1OCCCC1
• Canonical SMILES: COc1cccc(c1)c1nc2c([nH]1)CCN(C2)CC1CCCCO1
• InChI: InChI=1S/C19H25N3O2/c1-23-15-7-4-5-14(11-15)19-20-17-8-9-22(13-18(17)21-19)12-16-6-2-3-10-24-16/h4-5,7,11,16H,2-3,6,8-10,12-13H2,1H3,(H,20,21)
• InChIKey: IZMGTSPXIADPJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.192508
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5729897
• LogD (pH = 7.4): 2.092652
• Log P: 2.3390894
• Molar Refractivity: 104.7513 cm^3
• Polarizability: 37.1804 Å^3
• Polar Surface Area: 50.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.52
• LOG S: -2.73
• Polar Surface Area: 50.38 Å^2
• Rotatable Bonds: 4