The strategy of the nucleophilic substitution hydrogen (SNH) was first applied for metal-free C-H/C-H coupling reactions 4H-imidazole 3-oxides with indoles. As a result, series novel bifunctional azaheterocyclic derivatives were obtained in yields up to 95%. In silico experiments on molecular docking performed evaluate binding possibility synthesized small molecules selected biotargets (BACE1, ...