2-{4-[(2-Phenyl-1H-Imidazol-4-Yl)Methyl]-1-Piperazinyl}Pyrimidine

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Properties Simple | Detailed

Formula C18H20N6
IUPAC Name 2-[4-[(2-phenylimidazol-3-ium-4-ylium-4-yl)methyl]piperazin-1-yl]pyrimidine
Molecular Mass 320.392 g·mol−1
Heat of Formation 454.1 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 386.93 Å 3
Surface Area 350.86 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[(2-phenyl-3h-imidazol-4-yl)methyl]-1-piperazinyl]pyrimidine
  • 2-[4-[(2-phenyl-3h-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine
  • 2-phenyl-4(5)-((4-(2-pyrimidinyl)-piperazin-1-yl)methyl)imidazole dimaleate
  • ngd 94-1
  • ngd-94-1
  • pdsp1_001714
  • pdsp2_001697
CAS Number(s)
  • 178928-68-2
InChIKey OTVQCHUIPJYASM-UHFFFAOYSA-N
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