2-Hydroxy-1-[4-(4-{[4-(1-Isopropyl-2-Methyl-1H-Imidazol-5-Yl)-2-Pyrimidinyl]Amino}Phenyl)-1-Piperazinyl]Ethanone

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Properties Simple | Detailed

Formula C23H29N7O2
IUPAC Name 2-hydroxy-1-[4-[4-[[4-(3-isopropyl-2-methyl-imidazol-3-ium-2-ylium-4-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
Molecular Mass 435.522 g·mol−1
Heat of Formation -4.6 ± 16.7 kJ·mol−1
Dipole Moment 5.35 ± 1.08 D
Volume 527.01 Å 3
Surface Area 429.17 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxy-1-[4-[4-[[4-(2-methyl-3-propan-2-yl-imidazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
  • 2-hydroxy-1-[4-[4-[[4-(3-isopropyl-2-methyl-4-imidazolyl)-2-pyrimidinyl]amino]phenyl]-1-piperazinyl]ethanone
  • 2-hydroxy-1-[4-[4-[[4-(3-isopropyl-2-methyl-imidazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
InChIKey PVTKDXZNSUHUMO-UHFFFAOYSA-N
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