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 -166.5 ± 16.7 kJ·mol−1
Dipole Moment 6.79 ± 1.08 D
Volume 489.93 Å 3
Surface Area 417.95 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -2.07 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-benzimidazol-2-one, ar-(bromo-77br)-1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-4-piperidinyl)-1,3-dihydro-
  • 75br-brombenperidol
  • 77br-brombenperidol
  • brombenperidol
CAS Number(s)
  • 91433-73-7
InChIKey LLJNEZOZHARXFU-RQUWHVIDSA-N
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Elements C F H O N Br