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

• ChemBase ID: 661362
• Molecular Formular: C16H17N5O
• Molecular Mass: 295.33908
• Monoisotopic Mass: 295.14331019
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1c2nc([nH]c2ccc1)C
• Canonical SMILES: O=C(c1cccc2c1nc([nH]2)C)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C16H17N5O/c1-10-18-12-6-4-5-11(15(12)19-10)16(22)20-14-9-17-13-7-2-3-8-21(13)14/h4-6,9H,2-3,7-8H2,1H3,(H,18,19)(H,20,22)
• InChIKey: PKBGFBLHQFSOLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.204713
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.64857996
• LogD (pH = 7.4): 1.4326922
• Log P: 1.4635869
• Molar Refractivity: 83.9845 cm^3
• Polarizability: 32.315918 Å^3
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.17
• LOG S: -2.35
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 2