2-chloro-N-(2-{imidazo[1,2-a]pyridin-6-ylformamido}ethyl)benzamide

• ChemBase ID: 548900
• Molecular Formular: C17H15ClN4O2
• Molecular Mass: 342.7796
• Monoisotopic Mass: 342.08835342
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NCCNC(=O)c1c(Cl)cccc1
• Canonical SMILES: O=C(c1ccc2n(c1)ccn2)NCCNC(=O)c1ccccc1Cl
• InChI: InChI=1S/C17H15ClN4O2/c18-14-4-2-1-3-13(14)17(24)21-8-7-20-16(23)12-5-6-15-19-9-10-22(15)11-12/h1-6,9-11H,7-8H2,(H,20,23)(H,21,24)
• InChIKey: CTMFOKROGWYOAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-{imidazo[1,2-a]pyridin-6-ylformamido}ethyl)benzamide
• IUPAC Traditional name: 2-chloro-N-(2-{imidazo[1,2-a]pyridin-6-ylformamido}ethyl)benzamide
• Synonyms: N-{2-[(2-chlorobenzoyl)amino]ethyl}imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.509504
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6815136
• LogD (pH = 7.4): 1.2890165
• Log P: 1.3139477
• Molar Refractivity: 92.7804 cm^3
• Polarizability: 34.157322 Å^3
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.17
• LOG S: -2.7
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 5