2-(2-fluorobenzoyl)-1-methyl-1H-imidazole

• ChemBase ID: 310929
• Molecular Formular: C11H9FN2O
• Molecular Mass: 204.2003632
• Monoisotopic Mass: 204.06989114
• SMILES: c1(C(=O)c2c(F)cccc2)n(ccn1)C
• Canonical SMILES: Fc1ccccc1C(=O)c1nccn1C
• InChI: InChI=1S/C11H9FN2O/c1-14-7-6-13-11(14)10(15)8-4-2-3-5-9(8)12/h2-7H,1H3
• InChIKey: CRHRYUUOKSCFMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorobenzoyl)-1-methyl-1H-imidazole
• IUPAC Traditional name: 2-(2-fluorobenzoyl)-1-methylimidazole
• Synonyms: (2-fluorophenyl)(1-methyl-1H-imidazol-2-yl)methanone

Database IDs

• CAS Number: 30148-19-7
• MDL Number: MFCD00792016

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0438578
• LogD (pH = 7.4): 2.0578697
• Log P: 2.0580518
• Molar Refractivity: 54.1786 cm^3
• Polarizability: 20.241026 Å^3
• Polar Surface Area: 34.89 Å^2