N-[1-(1H-1,3-benzodiazol-2-yl)ethyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 677678
• Molecular Formular: C19H19N5O
• Molecular Mass: 333.38706
• Monoisotopic Mass: 333.15896025
• SMILES: c12n(c(cn1)CC(=O)NC(c1nc3c([nH]1)cccc3)C)cccc2C
• Canonical SMILES: O=C(Cc1cnc2n1cccc2C)NC(c1nc2c([nH]1)cccc2)C
• InChI: InChI=1S/C19H19N5O/c1-12-6-5-9-24-14(11-20-19(12)24)10-17(25)21-13(2)18-22-15-7-3-4-8-16(15)23-18/h3-9,11,13H,10H2,1-2H3,(H,21,25)(H,22,23)
• InChIKey: WYQVZPIJHOHMTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1H-1,3-benzodiazol-2-yl)ethyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: N-[1-(1H-1,3-benzodiazol-2-yl)ethyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.394299
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.9961998
• LogD (pH = 7.4): 1.8471879
• Log P: 1.9001157
• Molar Refractivity: 96.2256 cm^3
• Polarizability: 37.53663 Å^3
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.95
• LOG S: -4.41
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 4