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

• ChemBase ID: 655924
• Molecular Formular: C15H19N3O2
• Molecular Mass: 273.33026
• Monoisotopic Mass: 273.14772686
• SMILES: n1c([nH]c2c1CNCC2)c1ccc(cc1)OCCOC
• Canonical SMILES: COCCOc1ccc(cc1)c1[nH]c2c(n1)CNCC2
• InChI: InChI=1S/C15H19N3O2/c1-19-8-9-20-12-4-2-11(3-5-12)15-17-13-6-7-16-10-14(13)18-15/h2-5,16H,6-10H2,1H3,(H,17,18)
• InChIKey: ZTYJJINFFSOGCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.327366
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5188229
• LogD (pH = 7.4): 0.20540948
• Log P: 1.0459081
• Molar Refractivity: 87.6444 cm^3
• Polarizability: 30.53556 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: 0.9
• LOG S: -0.95
• Polar Surface Area: 59.17 Å^2
• Rotatable Bonds: 5