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

• ChemBase ID: 824577
• Molecular Formular: C17H21F2N3O
• Molecular Mass: 321.3649464
• Monoisotopic Mass: 321.16526875
• SMILES: c1(nc2c([nH]1)CCN(C2)CCOCCC)c1c(cc(cc1)F)F
• Canonical SMILES: CCCOCCN1CCc2c(C1)nc([nH]2)c1ccc(cc1F)F
• InChI: InChI=1S/C17H21F2N3O/c1-2-8-23-9-7-22-6-5-15-16(11-22)21-17(20-15)13-4-3-12(18)10-14(13)19/h3-4,10H,2,5-9,11H2,1H3,(H,20,21)
• InChIKey: UMFHQTSUELENBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.79449
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3168174
• LogD (pH = 7.4): 2.624568
• Log P: 2.7513616
• Molar Refractivity: 96.1813 cm^3
• Polarizability: 32.886074 Å^3
• Polar Surface Area: 41.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.48
• LOG S: -2.65
• Polar Surface Area: 41.15 Å^2
• Rotatable Bonds: 6