1-{3-[4-(Diphenylmethyl)-1-Piperazinyl]Propyl}-3-(1H-Imidazol-1-Ylmethyl)-1H-Indole-6-Carboxylic Acid

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Properties Simple | Detailed

Formula C33H35N5O2
IUPAC Name 3-(4,5-dihydro-2h-imidazol-1-ium-2,4,5-triylium-3-id-1-ylmethyl)-1-[3-[4-[(s)-di(phenyl)methyl]piperazin-1-yl]propyl]-5h-indol-1-ium-7a-ylium-5-ide-6-carboxylate
Molecular Mass 533.663 g·mol−1
Heat of Formation 2331.1 ± 16.7 kJ·mol−1
Dipole Moment 20.89 ± 1.08 D
Volume 651.12 Å 3
Surface Area 499.87 Å 2
HOMO Energy -5.55 ± 0.55 eV
LUMO Energy -4.33 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-(4-benzhydryl-1-piperazinyl)propyl)-3-(1h-imidazol-1-ylmethyl)-1h-indole-6-carboxylic acid
  • 1-[3-[4-[di(phenyl)methyl]-1-piperazinyl]propyl]-3-(1-imidazolylmethyl)-6-indolecarboxylic acid
  • 1-[3-[4-[di(phenyl)methyl]piperazin-1-yl]propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid
  • ky 234
  • ky-234
CAS Number(s)
  • 172544-75-1
InChIKey HOZQCFWNPXAYPQ-UHFFFAOYSA-N
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