2-[2-(2-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]-N-(2-methylphenyl)acetamide

• ChemBase ID: 315157
• Molecular Formular: C19H18FN3O2
• Molecular Mass: 339.3635232
• Monoisotopic Mass: 339.13830505
• SMILES: c1(c2c(cc(cc2)OC)F)n(CC(=O)Nc2c(C)cccc2)ccn1
• Canonical SMILES: COc1ccc(c(c1)F)c1nccn1CC(=O)Nc1ccccc1C
• InChI: InChI=1S/C19H18FN3O2/c1-13-5-3-4-6-17(13)22-18(24)12-23-10-9-21-19(23)15-8-7-14(25-2)11-16(15)20/h3-11H,12H2,1-2H3,(H,22,24)
• InChIKey: IOHGHMFJFMQRJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]-N-(2-methylphenyl)acetamide
• IUPAC Traditional name: 2-[2-(2-fluoro-4-methoxyphenyl)imidazol-1-yl]-N-(2-methylphenyl)acetamide
• Synonyms: 2-[2-(2-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]-N-(2-methylphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.466358
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.138018
• LogD (pH = 7.4): 3.5054407
• Log P: 3.5139594
• Molar Refractivity: 105.0938 cm^3
• Polarizability: 35.821064 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.81
• LOG S: -4.07
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 5