2-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-[(3-methylphenyl)methyl]-N-(propan-2-yl)acetamide

• ChemBase ID: 322437
• Molecular Formular: C21H25N3O
• Molecular Mass: 335.4427
• Monoisotopic Mass: 335.19976244
• SMILES: c1(n2c(nc1C)cccc2)CC(=O)N(Cc1cc(ccc1)C)C(C)C
• Canonical SMILES: Cc1cccc(c1)CN(C(=O)Cc1c(C)nc2n1cccc2)C(C)C
• InChI: InChI=1S/C21H25N3O/c1-15(2)24(14-18-9-7-8-16(3)12-18)21(25)13-19-17(4)22-20-10-5-6-11-23(19)20/h5-12,15H,13-14H2,1-4H3
• InChIKey: KWSJIZYMUDOBEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-[(3-methylphenyl)methyl]-N-(propan-2-yl)acetamide
• IUPAC Traditional name: N-isopropyl-2-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-[(3-methylphenyl)methyl]acetamide
• Synonyms: N-isopropyl-N-(3-methylbenzyl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3798428
• LogD (pH = 7.4): 3.0745623
• Log P: 3.100356
• Molar Refractivity: 102.1498 cm^3
• Polarizability: 38.675438 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.27
• LOG S: -4.44
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 5