The chemical functionalization of carboxylated short multi-walled carbon nanotubes (Sh–MWCNT–COOH) by creatinine (Sh–MWCNT–amide) and later modification with aromatic aldehydes for producing 2-amino-5-arylidene-1-methyl-1H–imidazol-4(5H)-one (Sh–MWCNT–imidazols) via thermal and microwave methods have been investigated. All the products were characterized by Fourier transform infrared spectroscopy, Raman spectroscopy, scanning electron microscope, elemental analysis, thermogravimetric analysis, derivative thermogravimetric and cellular investigations. These functionalizations have been chosen due to the active sites of CC and carbonyl groups in Sh–MWCNT–imidazols, which might be used as functional materials in the future. MTT assay was used to examine the behavior of cell proliferation after 72h of cell culture experiments. Cellular investigations were performed for two kinds of cells, human breast and gastric cancer cells. Cellular results showed high toxicity of modified Sh–MWCNTs on the gastric cancer cells compared to breast cells.