N-({5-[(3E)-3-(4,6-Difluoro-2H-Benzimidazol-2-Ylidene)-2,3-Dihydro-1H-Indazol-5-Yl]-4-Methyl-3-Pyridinyl}Methyl)Ethanamine

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Properties Simple | Detailed

Formula C23H20F2N6
IUPAC Name n-[[5-[(3e)-3-(4,6-difluorobenzimidazol-2-ylidene)indazole-1,2-diium-5-yl]-4-methyl-3-pyridyl]methyl]ethanamine
Molecular Mass 418.442 g·mol−1
Heat of Formation 291.4 ± 16.7 kJ·mol−1
Dipole Moment 8.81 ± 1.08 D
Volume 485.06 Å 3
Surface Area 394.77 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -2.25 ± eV
Point Group Symmetry C1
Synonyms
  • [5-[(3e)-3-(4,6-difluorobenzimidazol-2-ylidene)indazolin-5-yl]-4-methyl-3-pyridyl]methyl-ethyl-amine
  • ag-024322
  • ag-24322
  • n-[[5-[(3e)-3-(4,6-difluoro-2-benzimidazolylidene)-1,2-dihydroindazol-5-yl]-4-methyl-3-pyridyl]methyl]ethanamine
  • n-[[5-[(3e)-3-(4,6-difluorobenzimidazol-2-ylidene)-1,2-dihydroindazol-5-yl]-4-methyl-3-pyridyl]methyl]ethanamine
  • n-[[5-[(3e)-3-(4,6-difluorobenzimidazol-2-ylidene)-1,2-dihydroindazol-5-yl]-4-methyl-pyridin-3-yl]methyl]ethanamine
  • n-[[5-[(3e)-3-(4,6-difluorobenzimidazol-2-ylidene)-1,2-dihydroindazol-5-yl]-4-methylpyridin-3-yl]methyl]ethanamine
InChIKey RBOKLZGCVRXGEP-XTQSDGFTSA-N
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