Microwave-assisted synthesis of novel imidazolium, pyridinium and pyridazinium-based ionic liquids and/or salts and prediction of physico-chemical properties for their toxicity and antibacterial activity

An efficient, eco-friendly, simple and facile synthesis of a novel class of imidazolium, pyridinium and pyridazinium-based ionic liquids and/or salts is described under both conventional procedure and microwave irradiation. The newly synthesized ILs were well-characterized by FT-IR, 1H NMR, 13C NMR, mass spectrometry and elemental analysis. Their in vitro antibacterial against a panel of Gram-positive and Gram-negative bacteria was measured by determination of the inhibition zone (IZ), minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) and the results revealed that ILs containing imidazolium cation are very effective antibacterial agents, especially, 1,2-dimethyl-3-(3-phenoxypropyl)-1H-imidazol-3-ium bromide8. A correlation of structure and activities relationship of these ILs with respect to Lipinski rule of Five, drug likeness, toxicity profiles and other physico-chemical properties of drugs are described and verified experimentally.