6-{2-[5-(2-fluoro-6-methoxyphenyl)-4-phenyl-1H-imidazol-1-yl]ethyl}pyrimidin-4-ol

• ChemBase ID: 545841
• Molecular Formular: C22H19FN4O2
• Molecular Mass: 390.4102632
• Monoisotopic Mass: 390.14920409
• SMILES: c1(c(ncn1CCc1cc(ncn1)O)c1ccccc1)c1c(F)cccc1OC
• Canonical SMILES: COc1cccc(c1c1n(CCc2ncnc(c2)O)cnc1c1ccccc1)F
• InChI: InChI=1S/C22H19FN4O2/c1-29-18-9-5-8-17(23)20(18)22-21(15-6-3-2-4-7-15)26-14-27(22)11-10-16-12-19(28)25-13-24-16/h2-9,12-14H,10-11H2,1H3,(H,24,25,28)
• InChIKey: QXVGCINKGPTDJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{2-[5-(2-fluoro-6-methoxyphenyl)-4-phenyl-1H-imidazol-1-yl]ethyl}pyrimidin-4-ol
• IUPAC Traditional name: 6-{2-[5-(2-fluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]ethyl}pyrimidin-4-ol
• Synonyms: 6-{2-[5-(2-fluoro-6-methoxyphenyl)-4-phenyl-1H-imidazol-1-yl]ethyl}pyrimidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.419929
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.9843736
• LogD (pH = 7.4): 4.072838
• Log P: 4.0741243
• Molar Refractivity: 108.1155 cm^3
• Polarizability: 43.14762 Å^3
• Polar Surface Area: 73.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.52
• LOG S: -5.06
• Polar Surface Area: 73.06 Å^2
• Rotatable Bonds: 6