N-{[2-(1H-imidazol-1-yl)phenyl]methyl}-2-{2-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 574259
• Molecular Formular: C20H19N5O
• Molecular Mass: 345.39776
• Monoisotopic Mass: 345.15896025
• SMILES: n12c(c(nc1cccc2)C)CC(=O)NCc1c(n2cncc2)cccc1
• Canonical SMILES: O=C(Cc1c(C)nc2n1cccc2)NCc1ccccc1n1cncc1
• InChI: InChI=1S/C20H19N5O/c1-15-18(25-10-5-4-8-19(25)23-15)12-20(26)22-13-16-6-2-3-7-17(16)24-11-9-21-14-24/h2-11,14H,12-13H2,1H3,(H,22,26)
• InChIKey: JVQLKKIJHJTLOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(1H-imidazol-1-yl)phenyl]methyl}-2-{2-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: N-{[2-(imidazol-1-yl)phenyl]methyl}-2-{2-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: N-[2-(1H-imidazol-1-yl)benzyl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.357282
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.15765367
• LogD (pH = 7.4): 1.2948684
• Log P: 1.3530401
• Molar Refractivity: 110.9929 cm^3
• Polarizability: 38.462204 Å^3
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.71
• LOG S: -3.18
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 5