4-{2-phenyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}pyridine

• ChemBase ID: 774612
• Molecular Formular: C17H16N4
• Molecular Mass: 276.33574
• Monoisotopic Mass: 276.13749653
• SMILES: n1c2c([nH]c1c1ccccc1)CCN(C2)c1ccncc1
• Canonical SMILES: c1ccc(cc1)c1[nH]c2c(n1)CN(CC2)c1ccncc1
• InChI: InChI=1S/C17H16N4/c1-2-4-13(5-3-1)17-19-15-8-11-21(12-16(15)20-17)14-6-9-18-10-7-14/h1-7,9-10H,8,11-12H2,(H,19,20)
• InChIKey: RNUAKENVMBSXCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-phenyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}pyridine
• IUPAC Traditional name: 4-{2-phenyl-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl}pyridine
• Synonyms: 2-phenyl-5-pyridin-4-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.248673
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8386847
• LogD (pH = 7.4): 1.4701874
• Log P: 2.3070507
• Molar Refractivity: 93.774 cm^3
• Polarizability: 31.974632 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.41
• LOG S: -3.27
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 2