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

• ChemBase ID: 351743
• Molecular Formular: C17H17N5O
• Molecular Mass: 307.34978
• Monoisotopic Mass: 307.14331019
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1c(c2ncc[nH]2)cccc1
• Canonical SMILES: O=C(c1ccccc1c1ncc[nH]1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C17H17N5O/c23-17(21-15-11-20-14-7-3-4-10-22(14)15)13-6-2-1-5-12(13)16-18-8-9-19-16/h1-2,5-6,8-9,11H,3-4,7,10H2,(H,18,19)(H,21,23)
• InChIKey: NMAWZNARWIHGAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.2970705
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7337318
• LogD (pH = 7.4): 1.9132963
• Log P: 1.9605643
• Molar Refractivity: 98.6897 cm^3
• Polarizability: 33.31442 Å^3
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.92
• LOG S: -2.23
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 3