4-(4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}phenyl)-1-phenyl-1H-imidazole

• ChemBase ID: 466668
• Molecular Formular: C22H19N5O
• Molecular Mass: 369.41916
• Monoisotopic Mass: 369.15896025
• SMILES: N1(C(=O)c2ccc(c3ncn(c3)c3ccccc3)cc2)Cc2c([nH]cn2)CC1
• Canonical SMILES: O=C(N1CCc2c(C1)nc[nH]2)c1ccc(cc1)c1ncn(c1)c1ccccc1
• InChI: InChI=1S/C22H19N5O/c28-22(26-11-10-19-21(13-26)24-14-23-19)17-8-6-16(7-9-17)20-12-27(15-25-20)18-4-2-1-3-5-18/h1-9,12,14-15H,10-11,13H2,(H,23,24)
• InChIKey: UIQJBUAWLJLADZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}phenyl)-1-phenyl-1H-imidazole
• IUPAC Traditional name: 4-(4-{1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}phenyl)-1-phenylimidazole
• Synonyms: 5-[4-(1-phenyl-1H-imidazol-4-yl)benzoyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.444684
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7332524
• LogD (pH = 7.4): 2.465608
• Log P: 2.4861417
• Molar Refractivity: 117.9851 cm^3
• Polarizability: 42.425804 Å^3
• Polar Surface Area: 66.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.35
• LOG S: -3.05
• Polar Surface Area: 66.81 Å^2
• Rotatable Bonds: 3