2-(3-fluorophenyl)-5-(2-propoxyethyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

• ChemBase ID: 731534
• Molecular Formular: C17H22FN3O
• Molecular Mass: 303.3744832
• Monoisotopic Mass: 303.17469056
• SMILES: n1c2c([nH]c1c1cc(F)ccc1)CCN(C2)CCOCCC
• Canonical SMILES: CCCOCCN1CCc2c(C1)nc([nH]2)c1cccc(c1)F
• InChI: InChI=1S/C17H22FN3O/c1-2-9-22-10-8-21-7-6-15-16(12-21)20-17(19-15)13-4-3-5-14(18)11-13/h3-5,11H,2,6-10,12H2,1H3,(H,19,20)
• InChIKey: OPAQPMSBYBGMKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluorophenyl)-5-(2-propoxyethyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 2-(3-fluorophenyl)-5-(2-propoxyethyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridine
• Synonyms: 2-(3-fluorophenyl)-5-(2-propoxyethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.171471
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.086998
• LogD (pH = 7.4): 2.4546347
• Log P: 2.6086597
• Molar Refractivity: 95.9649 cm^3
• Polarizability: 33.19626 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: 2.84
• LOG S: -2.83
• Polar Surface Area: 41.15 Å^2
• Rotatable Bonds: 6