4-(2,6-difluorophenyl)-5-[(3-ethenylphenyl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

• ChemBase ID: 718852
• Molecular Formular: C21H19F2N3
• Molecular Mass: 351.3924664
• Monoisotopic Mass: 351.15470406
• SMILES: C1(c2c([nH]cn2)CCN1Cc1cc(C=C)ccc1)c1c(F)cccc1F
• Canonical SMILES: C=Cc1cccc(c1)CN1CCc2c(C1c1c(F)cccc1F)nc[nH]2
• InChI: InChI=1S/C21H19F2N3/c1-2-14-5-3-6-15(11-14)12-26-10-9-18-20(25-13-24-18)21(26)19-16(22)7-4-8-17(19)23/h2-8,11,13,21H,1,9-10,12H2,(H,24,25)
• InChIKey: UGAUKVAWDOOYMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.936418
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4059803
• LogD (pH = 7.4): 4.2379155
• Log P: 4.291841
• Molar Refractivity: 99.4204 cm^3
• Polarizability: 37.220207 Å^3
• Polar Surface Area: 31.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.06
• LOG S: -3.37
• Polar Surface Area: 31.92 Å^2
• Rotatable Bonds: 4