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

• ChemBase ID: 607192
• Molecular Formular: C16H19N3O
• Molecular Mass: 269.34156
• Monoisotopic Mass: 269.15281224
• SMILES: n1c([nH]c2c1CNCC2)c1ccc(OCC2CC2)cc1
• Canonical SMILES: C1NCc2c(C1)[nH]c(n2)c1ccc(cc1)OCC1CC1
• InChI: InChI=1S/C16H19N3O/c1-2-11(1)10-20-13-5-3-12(4-6-13)16-18-14-7-8-17-9-15(14)19-16/h3-6,11,17H,1-2,7-10H2,(H,18,19)
• InChIKey: UWBQHXVTQSOGDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.328009
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.691283
• LogD (pH = 7.4): 1.0329398
• Log P: 1.8734609
• Molar Refractivity: 88.5429 cm^3
• Polarizability: 30.96716 Å^3
• Polar Surface Area: 49.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.13
• LOG S: -1.98
• Polar Surface Area: 49.94 Å^2
• Rotatable Bonds: 4