{3-[2-(2,6-difluorophenyl)-1H-imidazol-1-yl]propyl}dimethylamine

• ChemBase ID: 645574
• Molecular Formular: C14H17F2N3
• Molecular Mass: 265.3016864
• Monoisotopic Mass: 265.139054
• SMILES: c1(c2c(F)cccc2F)n(ccn1)CCCN(C)C
• Canonical SMILES: CN(CCCn1ccnc1c1c(F)cccc1F)C
• InChI: InChI=1S/C14H17F2N3/c1-18(2)8-4-9-19-10-7-17-14(19)13-11(15)5-3-6-12(13)16/h3,5-7,10H,4,8-9H2,1-2H3
• InChIKey: PAJHANAKBOIMDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[2-(2,6-difluorophenyl)-1H-imidazol-1-yl]propyl}dimethylamine
• IUPAC Traditional name: {3-[2-(2,6-difluorophenyl)imidazol-1-yl]propyl}dimethylamine
• Synonyms: 3-[2-(2,6-difluorophenyl)-1H-imidazol-1-yl]-N,N-dimethylpropan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.1657711
• LogD (pH = 7.4): 0.22252205
• Log P: 2.4672303
• Molar Refractivity: 82.3284 cm^3
• Polarizability: 27.391235 Å^3
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.17
• LOG S: -1.13
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 5