3-(1H-imidazol-2-yl)-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 319180
• Molecular Formular: C21H21N5O
• Molecular Mass: 359.42434
• Monoisotopic Mass: 359.17461032
• SMILES: c1(c(n2c(n1)c(ccc2)C)c1ncc[nH]1)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1nc2n(c1c1ncc[nH]1)cccc2C)CCc1ccccc1
• InChI: InChI=1S/C21H21N5O/c1-15-7-6-13-26-18(19-22-11-12-23-19)17(24-20(15)26)21(27)25(2)14-10-16-8-4-3-5-9-16/h3-9,11-13H,10,14H2,1-2H3,(H,22,23)
• InChIKey: MMZVLGNAHQZLEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1H-imidazol-2-yl)-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 3-(1H-imidazol-2-yl)-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 3-(1H-imidazol-2-yl)-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.821691
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5368726
• LogD (pH = 7.4): 2.7914388
• Log P: 2.7962492
• Molar Refractivity: 116.7789 cm^3
• Polarizability: 40.09512 Å^3
• Polar Surface Area: 66.29 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: 2.16
• LOG S: -3.67
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 5