5-[(4-phenylphenyl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

• ChemBase ID: 697673
• Molecular Formular: C19H19N3
• Molecular Mass: 289.37426
• Monoisotopic Mass: 289.15789762
• SMILES: c12c([nH]cn1)CCN(C2)Cc1ccc(c2ccccc2)cc1
• Canonical SMILES: c1ccc(cc1)c1ccc(cc1)CN1CCc2c(C1)nc[nH]2
• InChI: InChI=1S/C19H19N3/c1-2-4-16(5-3-1)17-8-6-15(7-9-17)12-22-11-10-18-19(13-22)21-14-20-18/h1-9,14H,10-13H2,(H,20,21)
• InChIKey: QVAJAIIKLXGOEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(4-phenylphenyl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 5-[(4-phenylphenyl)methyl]-1H,4H,6H,7H-imidazo[4,5-c]pyridine
• Synonyms: 5-(biphenyl-4-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.044271
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8831493
• LogD (pH = 7.4): 2.5772798
• Log P: 2.980531
• Molar Refractivity: 90.0796 cm^3
• Polarizability: 35.87606 Å^3
• Polar Surface Area: 31.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.88
• LOG S: -2.76
• Polar Surface Area: 31.92 Å^2
• Rotatable Bonds: 3