Some heterocyclic compounds of 2-methyl thio-1H-benzimidazol were newly synthesized carried on different mono, disaccharides and nanocrystalline cellulose. The extracted cellulose was obtained from cotton stalk agro-wastes. Nanocrystalline cellulose (NCC) was prepared and characterized by (FTIR, SEM and HRTEM). The synthesized benzimidazol sugars and NCC were evaluated for their potential anti-cancer and antioxidant activities. All the added sugars; mannose, xylose, and maltose significantly increased 2-methyl thio-1H-benzimidazol anticancer activity against breast carcinoma cells (MCF-7), and colon carcinoma cells (HCT-116). Mannose substitution (compound 7) recorded the highest activity against both cancer cell lines (IC50, 29.90 ± 0.92 and 50.45 ± 3.06 µg/ml, respectively), compared to benzimidazol compound (122.86 ± 3.17 and 218.47 ± 5.93 µg/ml, respectively). Unfortunately, the acetylated sugars and nanocrystalline cellulose derivatives compounds have less activity than their original compounds depending on decreasing the free hydroxyl groups. On contrast, NCC benzimidazol derivative showed anticancer activity less than all substituted sugars benzimidazol derivatives (IC50, 144.04 ± 6.07 and 405.85 ± 16.38 µg/ml, respectively), meanwhile, the acetylated NCC benzimidazol increased as anticancer activity (IC50, 98.12± 4.31 and 206.18 ± 6.59 µg/ml, respectively). Also, the antioxidant activity of the new synthesized compounds was performed showing good activity.