2-(4-chloro-2-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}phenoxy)acetamide

• ChemBase ID: 451917
• Molecular Formular: C14H15ClN4O2
• Molecular Mass: 306.7475
• Monoisotopic Mass: 306.08835342
• SMILES: c12C(c3c(OCC(=O)N)ccc(c3)Cl)NCCc2[nH]cn1
• Canonical SMILES: NC(=O)COc1ccc(cc1C1NCCc2c1nc[nH]2)Cl
• InChI: InChI=1S/C14H15ClN4O2/c15-8-1-2-11(21-6-12(16)20)9(5-8)13-14-10(3-4-17-13)18-7-19-14/h1-2,5,7,13,17H,3-4,6H2,(H2,16,20)(H,18,19)
• InChIKey: KRHRBRYYPBRGNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chloro-2-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}phenoxy)acetamide
• IUPAC Traditional name: 2-(4-chloro-2-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}phenoxy)acetamide
• Synonyms: 2-[4-chloro-2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenoxy]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.933876
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.9382327
• LogD (pH = 7.4): 0.15738966
• Log P: 0.2796282
• Molar Refractivity: 78.5688 cm^3
• Polarizability: 30.4487 Å^3
• Polar Surface Area: 93.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.02
• LOG S: -2.76
• Polar Surface Area: 93.03 Å^2
• Rotatable Bonds: 4