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

• ChemBase ID: 699520
• Molecular Formular: C18H19N3O
• Molecular Mass: 293.36296
• Monoisotopic Mass: 293.15281224
• SMILES: c1(nc2c([nH]1)CCNC2)c1c2c(ccc1OCC)cccc2
• Canonical SMILES: CCOc1ccc2c(c1c1nc3c([nH]1)CCNC3)cccc2
• InChI: InChI=1S/C18H19N3O/c1-2-22-16-8-7-12-5-3-4-6-13(12)17(16)18-20-14-9-10-19-11-15(14)21-18/h3-8,19H,2,9-11H2,1H3,(H,20,21)
• InChIKey: RRCTXOJFZXGLOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethoxynaphthalen-1-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 2-(2-ethoxynaphthalen-1-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• Synonyms: 2-(2-ethoxy-1-naphthyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.785069
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.11333497
• LogD (pH = 7.4): 1.6160637
• Log P: 2.4391685
• Molar Refractivity: 97.7997 cm^3
• Polarizability: 35.593647 Å^3
• Polar Surface Area: 49.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.56
• LOG S: -2.52
• Polar Surface Area: 49.94 Å^2
• Rotatable Bonds: 3