101092-40-4

Basic information

• Product Name: (E)-1-methyl-2-((2-phenylhydrazineylidene)methyl)-1H-benzo[d]imidazole
• Synonyms: (E)-1-methyl-2-((2-phenylhydrazineylidene)methyl)-1H-benzo[d]imidazole
• CAS NO: 101092-40-4
• Molecular Weight: 250.303
• Mol File: 101092-40-4.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: (E)-1-methyl-2-((2-phenylhydrazineylidene)methyl)-1H-benzo[d]imidazole(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-1-methyl-2-((2-phenylhydrazineylidene)methyl)-1H-benzo[d]imidazole(101092-40-4)
• EPA Substance Registry System: (E)-1-methyl-2-((2-phenylhydrazineylidene)methyl)-1H-benzo[d]imidazole(101092-40-4)

Safety Data

• Hazardous Substances Data: 101092-40-4(Hazardous Substances Data)

Upstream product

• 3012-80-4 1-methyl-2-formyl-1H-benzimidazole 
• 100-63-0 phenylhydrazine 
• 4760-34-3 N-methyl-1,2-phenylenediamine 
• 7467-35-8 (1-methyl-1H-benzimidazol-2-yl)methanol 

Downstream Products

• 102598-98-1 2-(bis-phenylazo-methylene)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole 
• 101281-29-2 1,3-dimethyl-2-phenylazomethylene-2,3-dihydro-1H-benzimidazole 

Relevant articles and documents

Design, synthesis, biological evaluation, molecular docking, DFT calculations and in silico ADME analysis of (benz)imidazole-hydrazone derivatives as promising antioxidant, antifungal, and anti-acetylcholinesterase agents

Ten hydrazone derivatives bearing a (benz)imidazole nucleus were designed, synthesized and evaluated for their antioxidant, antifungal, and anti-acetylcholinesterase activities. All the synthesized compounds (1-10) showed good to excellent antioxidant activity. Among them, compound 10 was found to be the best acetylcholinesterase inhibitor with an IC50 value comparable to that of the galantamine. Compound 5 was found to be the best antifungal agent against Fusarium oxysporum fungal strain when compared to the commercial fungicide carbendazim. DFT calculations, for representative molecules 1 and 6, were also performed to investigate the antioxidant mechanisms, and it was found that SETPT (sequential electron transfer-proton transfer) is the most favorable mechanism in ethanol. Molecular docking studies of the most active compounds were carried out, and results showed reasonable binding modes in the active site of Fusarium oxysporum FGB1 enzyme and acetylcholinesterase. Finally, in silico predictions of ADME and pharmacokinetic parameters indicated that these compounds should have good oral bioavailability.