4-[(5-{[4-(3-Chlorophenyl)-3-Oxo-1-Piperazinyl]Methyl}-1H-Imidazol-1-Yl)Methyl]Benzonitrile

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Formula C22H20ClN5O
IUPAC Name 4-[[5-[[(1s)-4-(3-chlorophenyl)-3-oxo-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile
Molecular Mass 405.880 g·mol−1
Heat of Formation 300.8 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 476.37 Å 3
Surface Area 400.39 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(5-{[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl}-1h-imidazol-1-yl)methyl]benzonitrile
  • 4-[[5-[[4-(3-chlorophenyl)-3-keto-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile
  • 4-[[5-[[4-(3-chlorophenyl)-3-oxo-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile
  • 4-[[5-[[4-(3-chlorophenyl)-3-oxo-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile
  • 4-[[5-[[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile
InChIKey JNUGFGAVPBYSHF-UHFFFAOYSA-N
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Elements H C Cl O N