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

• ChemBase ID: 816371
• Molecular Formular: C15H19N3O
• Molecular Mass: 257.33086
• Monoisotopic Mass: 257.15281224
• SMILES: c1(nc2c([nH]1)CCNC2)c1c(OC(C)C)cccc1
• Canonical SMILES: CC(Oc1ccccc1c1nc2c([nH]1)CCNC2)C
• InChI: InChI=1S/C15H19N3O/c1-10(2)19-14-6-4-3-5-11(14)15-17-12-7-8-16-9-13(12)18-15/h3-6,10,16H,7-9H2,1-2H3,(H,17,18)
• InChIKey: WUGDSBQZRUYGDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.910832
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.6891967
• LogD (pH = 7.4): 1.0393766
• Log P: 1.8662666
• Molar Refractivity: 85.7683 cm^3
• Polarizability: 29.864428 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: 1.68
• LOG S: -1.5
• Polar Surface Area: 49.94 Å^2
• Rotatable Bonds: 3