CAS 1076198-61-2

2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-6-(phenylmethoxy)-1H-benzimidazole

Description:

The chemical substance known as 2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-6-(phenylmethoxy)-1H-benzimidazole, with the CAS number 1076198-61-2, is a complex organic 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, contributing to its potential biological activity. The presence of a pyridine ring, along with a trifluoroethoxy group, enhances its lipophilicity and may influence its interaction with biological targets. The compound also features a thioether linkage, which can play a role in its reactivity and stability. Its phenylmethoxy substituent adds further complexity to its structure, potentially affecting its solubility and pharmacokinetic properties. Overall, this compound may exhibit interesting pharmacological properties, making it a candidate for further research in medicinal chemistry, particularly in the development of therapeutic agents. However, specific biological activities and applications would require empirical investigation.

Formula: C₂₃H₂₀F₃N₃O₂S

InChI: InChI=1S/C23H20F3N3O2S/c1-15-20(27-10-9-21(15)31-14-23(24,25)26)13-32-22-28-18-8-7-17(11-19(18)29-22)30-12-16-5-3-2-4-6-16/h2-11H,12-14H2,1H3,(H,28,29)

InChI key: InChIKey=CZUOFBHOTCVYSF-UHFFFAOYSA-N

SMILES: S(CC1=C(C)C(OCC(F)(F)F)=CC=N1)C=2NC=3C(N2)=CC=C(OCC4=CC=CC=C4)C3

Synonyms:

• 2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-6-(phenylmethoxy)-1H-benzimidazole
• 1H-Benzimidazole, 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-6-(phenylmethoxy)-
• 2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]thio]-5-benzyloxy-1H-benzimidazole