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

• ChemBase ID: 679789
• Molecular Formular: C22H19FN4O
• Molecular Mass: 374.4108632
• Monoisotopic Mass: 374.15428947
• SMILES: c1(c2c(ccc(c2)F)OC)c(ncn1CCc1nccnc1)c1ccccc1
• Canonical SMILES: COc1ccc(cc1c1n(CCc2nccnc2)cnc1c1ccccc1)F
• InChI: InChI=1S/C22H19FN4O/c1-28-20-8-7-17(23)13-19(20)22-21(16-5-3-2-4-6-16)26-15-27(22)12-9-18-14-24-10-11-25-18/h2-8,10-11,13-15H,9,12H2,1H3
• InChIKey: GFPPKSYVTPGUEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.120398
• LogD (pH = 7.4): 3.2690372
• Log P: 3.2713976
• Molar Refractivity: 104.843 cm^3
• Polarizability: 42.55343 Å^3
• Polar Surface Area: 52.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.9
• LOG S: -4.41
• Polar Surface Area: 52.83 Å^2
• Rotatable Bonds: 6