N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-(1-phenyl-1H-imidazol-4-yl)benzamide

• ChemBase ID: 407548
• Molecular Formular: C23H21N5O
• Molecular Mass: 383.44574
• Monoisotopic Mass: 383.17461032
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1ccc(c2ncn(c2)c2ccccc2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)c1ncn(c1)c1ccccc1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C23H21N5O/c29-23(26-22-14-24-21-8-4-5-13-28(21)22)18-11-9-17(10-12-18)20-15-27(16-25-20)19-6-2-1-3-7-19/h1-3,6-7,9-12,14-16H,4-5,8,13H2,(H,26,29)
• InChIKey: UDXBKBWFUFMCPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-(1-phenyl-1H-imidazol-4-yl)benzamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-(1-phenylimidazol-4-yl)benzamide
• Synonyms: 4-(1-phenyl-1H-imidazol-4-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.511494
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.963087
• LogD (pH = 7.4): 3.8179452
• Log P: 3.8505042
• Molar Refractivity: 123.3459 cm^3
• Polarizability: 44.303215 Å^3
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.22
• LOG S: -4.75
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 4