1-{2-[2-(5-fluoro-2-methoxyphenyl)phenoxy]ethyl}-1H-imidazole

• ChemBase ID: 758099
• Molecular Formular: C18H17FN2O2
• Molecular Mass: 312.3381832
• Monoisotopic Mass: 312.12740601
• SMILES: c1(c2c(OCCn3cncc3)cccc2)c(ccc(c1)F)OC
• Canonical SMILES: COc1ccc(cc1c1ccccc1OCCn1cncc1)F
• InChI: InChI=1S/C18H17FN2O2/c1-22-17-7-6-14(19)12-16(17)15-4-2-3-5-18(15)23-11-10-21-9-8-20-13-21/h2-9,12-13H,10-11H2,1H3
• InChIKey: DDXHZHSQNMIACX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[2-(5-fluoro-2-methoxyphenyl)phenoxy]ethyl}-1H-imidazole
• IUPAC Traditional name: 1-{2-[2-(5-fluoro-2-methoxyphenyl)phenoxy]ethyl}imidazole
• Synonyms: 1-{2-[(5'-fluoro-2'-methoxybiphenyl-2-yl)oxy]ethyl}-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8239756
• LogD (pH = 7.4): 3.2884197
• Log P: 3.3547575
• Molar Refractivity: 86.2775 cm^3
• Polarizability: 34.13056 Å^3
• Polar Surface Area: 36.28 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.98
• LOG S: -4.02
• Polar Surface Area: 36.28 Å^2
• Rotatable Bonds: 6