2-chloro-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-methylbenzamide

• ChemBase ID: 786063
• Molecular Formular: C15H16ClN3O
• Molecular Mass: 289.76004
• Monoisotopic Mass: 289.09818983
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1c(ccc(c1)C)Cl
• Canonical SMILES: Cc1ccc(c(c1)C(=O)Nc1cnc2n1CCCC2)Cl
• InChI: InChI=1S/C15H16ClN3O/c1-10-5-6-12(16)11(8-10)15(20)18-14-9-17-13-4-2-3-7-19(13)14/h5-6,8-9H,2-4,7H2,1H3,(H,18,20)
• InChIKey: BGJLBLBRIIKZDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-methylbenzamide
• IUPAC Traditional name: 2-chloro-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-methylbenzamide
• Synonyms: 2-chloro-5-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.275517
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5068967
• LogD (pH = 7.4): 3.1431584
• Log P: 3.17173
• Molar Refractivity: 80.4793 cm^3
• Polarizability: 29.890903 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.44
• LOG S: -3.4
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 2