1-(~77~Br)Bromo-3-{1-[4-(4-Fluorophenyl)-4-Oxobutyl]-4-Piperidinyl}-1,3-Dihydro-2H-Benzimidazol-2-One

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Properties Simple | Detailed

Formula C22H23BrFN3O2
IUPAC Name 1-bromo-3-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-4-piperidyl]benzimidazole-1,3-diium-2-one
Molecular Mass 460.339 g·mol−1
Heat of Formation -168.7 ± 16.7 kJ·mol−1
Dipole Moment 7.08 ± 1.08 D
Volume 490.73 Å 3
Surface Area 414.05 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 1-bromo-3-[1-[4-(4-fluorophenyl)-4-keto-butyl]-4-piperidyl]benzimidazol-2-one
  • 1-bromo-3-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-4-piperidyl]benzimidazol-2-one
  • 1-bromo-3-[1-[4-(4-fluorophenyl)-4-oxo-butyl]piperidin-4-yl]benzimidazol-2-one
  • 1-bromo-3-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl]-2-benzimidazolone
  • 1-bromo-3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]benzimidazol-2-one
InChIKey LLJNEZOZHARXFU-UHFFFAOYSA-N
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Elements C F H O N Br