N-{[2-(2-methyl-1H-imidazol-1-yl)phenyl]methyl}-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 503787
• Molecular Formular: C21H21N5O
• Molecular Mass: 359.42434
• Monoisotopic Mass: 359.17461032
• SMILES: c12n(c(cn1)CC(=O)NCc1c(n3c(ncc3)C)cccc1)cccc2C
• Canonical SMILES: O=C(Cc1cnc2n1cccc2C)NCc1ccccc1n1ccnc1C
• InChI: InChI=1S/C21H21N5O/c1-15-6-5-10-26-18(14-24-21(15)26)12-20(27)23-13-17-7-3-4-8-19(17)25-11-9-22-16(25)2/h3-11,14H,12-13H2,1-2H3,(H,23,27)
• InChIKey: YELSINHGOFXLMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2-methyl-1H-imidazol-1-yl)phenyl]methyl}-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: 2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-{[2-(2-methylimidazol-1-yl)phenyl]methyl}acetamide
• Synonyms: N-[2-(2-methyl-1H-imidazol-1-yl)benzyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 115.8833 cm^3
• Polarizability: 40.22574 Å^3
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.40855
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.11223742
• LogD (pH = 7.4): 1.6732539
• Log P: 1.858156

供应商提供(Chembridge)

• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 1
• Log P: 2.29
• LOG S: -3.77