2-(2,4-difluorophenyl)-5-(4-fluorobenzoyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

• ChemBase ID: 652108
• Molecular Formular: C19H14F3N3O
• Molecular Mass: 357.3291696
• Monoisotopic Mass: 357.10889674
• SMILES: c1(nc2c([nH]1)CCN(C(=O)c1ccc(cc1)F)C2)c1c(cc(cc1)F)F
• Canonical SMILES: Fc1ccc(cc1)C(=O)N1CCc2c(C1)nc([nH]2)c1ccc(cc1F)F
• InChI: InChI=1S/C19H14F3N3O/c20-12-3-1-11(2-4-12)19(26)25-8-7-16-17(10-25)24-18(23-16)14-6-5-13(21)9-15(14)22/h1-6,9H,7-8,10H2,(H,23,24)
• InChIKey: JUDLYRXGOXXVDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-difluorophenyl)-5-(4-fluorobenzoyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 2-(2,4-difluorophenyl)-5-(4-fluorobenzoyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridine
• Synonyms: 2-(2,4-difluorophenyl)-5-(4-fluorobenzoyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.271997
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.024435
• LogD (pH = 7.4): 3.1410012
• Log P: 3.1427774
• Molar Refractivity: 101.0233 cm^3
• Polarizability: 33.705498 Å^3
• Polar Surface Area: 48.99 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: 2.09
• LOG S: -3.59
• Polar Surface Area: 48.99 Å^2
• Rotatable Bonds: 2