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

• ChemBase ID: 623559
• Molecular Formular: C17H19N5O
• Molecular Mass: 309.36566
• Monoisotopic Mass: 309.15896025
• SMILES: n1(cnc2c1cccc2)C(C(=O)Nc1n2c(nc1)CCCC2)C
• Canonical SMILES: O=C(C(n1cnc2c1cccc2)C)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C17H19N5O/c1-12(22-11-19-13-6-2-3-7-14(13)22)17(23)20-16-10-18-15-8-4-5-9-21(15)16/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,20,23)
• InChIKey: NYJIYDBGSFDJBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.257878
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0175912
• LogD (pH = 7.4): 1.9189283
• Log P: 1.953363
• Molar Refractivity: 87.7628 cm^3
• Polarizability: 34.252266 Å^3
• Polar Surface Area: 64.74 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: 1.99
• LOG S: -3.16
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 3