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

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Properties Simple | Detailed

Formula C27H29F3N5O2S
IUPAC Name λ1-azanyl-[5-[6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-3-ium-6-id-1-yl]-3-[(1r)-1-[2-(trifluoromethyl)benzene-3,4,5,6-tetraid-1-yl]ethoxy]-2-thienyl]methanone
Molecular Mass 544.612 g·mol−1
Heat of Formation -547.0 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 612.08 Å 3
Surface Area 503.62 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[6-[(4-methyl-1-piperazinyl)methyl]-1-benzimidazolyl]-3-[(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy]-2-thiophenecarboxamide
  • 5-[6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-1-yl]-3-[(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
InChIKey ZHJGWYRLJUCMRT-QGZVFWFLSA-N
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