2-{[(4-Methoxy-3-Methyl-2-Pyridinyl)Methyl]Sulfanyl}-5-(Trifluoromethyl)-1H-Benzimidazole

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Properties Simple | Detailed

Formula C16H14F3N3OS
IUPAC Name 2-[(4-methoxy-3-methyl-2-pyridyl)methylsulfanyl]-5-(trifluoromethyl)benzimidazol-3-ium
Molecular Mass 353.362 g·mol−1
Heat of Formation -530.2 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 380.52 Å 3
Surface Area 338.15 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-benzimidazole, 2-(((4-methoxy-3-methyl-2-pyridinyl)methyl)thio)-5-(trifluoromethyl)-
  • 2-((4-methoxy-3-methyl-2-pyridylmethyl)sulfo)-5-trifluoromethyl-1h-benzimidazole
  • 2-[(4-methoxy-3-methyl-2-pyridyl)methylsulfanyl]-6-(trifluoromethyl)-1h-benzimidazole
  • 2-[(4-methoxy-3-methyl-2-pyridyl)methylthio]-6-(trifluoromethyl)-1h-benzimidazole
  • 2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfanyl]-6-(trifluoromethyl)-1h-benzimidazole
  • b 823-08
  • b-823-08
  • by 308
CAS Number(s)
  • 86604-69-5
InChIKey CEXGUUCQSXKHRS-UHFFFAOYSA-N
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