5-{6-[(1-Methyl-4-Piperidinyl)Oxy]-1H-Benzimidazol-1-Yl}-3-{(1R)-1-[2-(Trifluoromethyl)Phenyl]Ethoxy}-2-Thiophenecarboxamide

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Properties Simple | Detailed

Formula C27H27F3N4O3S
IUPAC Name 5-[6-[(1-methyl-4-piperidyl)oxy]-2h-benzimidazol-1-ium-2-ylium-1-yl]-3-[(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
Molecular Mass 544.588 g·mol−1
Heat of Formation -766.3 ± 16.7 kJ·mol−1
Dipole Moment 3.30 ± 1.08 D
Volume 606.9 Å 3
Surface Area 506.31 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 1.73 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
  • 5-[6-[(1-methyl-4-piperidinyl)oxy]-1-benzimidazolyl]-3-[(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy]-2-thiophenecarboxamide
  • 5-[6-[(1-methyl-4-piperidyl)oxy]benzimidazol-1-yl]-3-[(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
InChIKey SWIVJTVGOIXUKC-MRXNPFEDSA-N
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