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In this work, we were able to achieve a total regioselectivity for the alkylation in the N1 position of 2-methyl-5-nitro-1H-imidazole and in the N1
position of 4-nitro-1H-imidazole; it was carried out in different operating condition (base, solvent, temperature…) with different alkylating agents.
The structures of the products obtained, they are established by 1H and 13C NMR spectroscopy. In parallel, a computational study it was carried
out in accordance with the experimental results obtained (scheme 1).