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CAS 690632-69-0

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1-(1-Methylethyl)-2-(trifluoromethyl)-1H-benzimidazole-5-carbonyl chloride

Description:
1-(1-Methylethyl)-2-(trifluoromethyl)-1H-benzimidazole-5-carbonyl chloride, with the CAS number 690632-69-0, is a chemical compound characterized by its unique structural features. It contains a benzimidazole core, which is a bicyclic structure composed of a fused benzene and imidazole ring. The presence of a trifluoromethyl group (-CF3) enhances its lipophilicity and can influence its biological activity, making it of interest in pharmaceutical applications. The carbonyl chloride functional group (-COCl) indicates that it can participate in nucleophilic substitution reactions, making it a versatile intermediate in organic synthesis. The isopropyl group (1-methylethyl) contributes to the compound's steric properties, potentially affecting its reactivity and interaction with biological targets. Overall, this compound's unique combination of functional groups and structural characteristics positions it as a valuable candidate for further research in medicinal chemistry and related fields.
Formula:C12H10ClF3N2O
InChI:InChI=1S/C12H10ClF3N2O/c1-6(2)18-9-4-3-7(10(13)19)5-8(9)17-11(18)12(14,15)16/h3-6H,1-2H3
InChI key:InChIKey=XNPSIQMTHTWBQQ-UHFFFAOYSA-N
SMILES:C(C)(C)N1C=2C(N=C1C(F)(F)F)=CC(C(Cl)=O)=CC2
Synonyms:
  • 1-(1-Methylethyl)-2-(trifluoromethyl)-1H-benzimidazole-5-carbonyl chloride
  • 1H-Benzimidazole-5-carbonyl chloride, 1-(1-methylethyl)-2-(trifluoromethyl)-
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