N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-phenyl-1H-imidazole-5-carboxamide

• ChemBase ID: 548161
• Molecular Formular: C17H17N5O
• Molecular Mass: 307.34978
• Monoisotopic Mass: 307.14331019
• SMILES: c1(C(=O)Nc2n3c(nc2)CCCC3)c(nc[nH]1)c1ccccc1
• Canonical SMILES: O=C(c1[nH]cnc1c1ccccc1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C17H17N5O/c23-17(21-14-10-18-13-8-4-5-9-22(13)14)16-15(19-11-20-16)12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2,(H,19,20)(H,21,23)
• InChIKey: ADIPCPYSBUQRBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.666046
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2188344
• LogD (pH = 7.4): 1.8590322
• Log P: 1.8888708
• Molar Refractivity: 88.2298 cm^3
• Polarizability: 34.00732 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: 2.77
• LOG S: -3.81
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 3