4-{1-Methyl-2-(4-Piperidinyl)-4-[3-(Trifluoromethyl)Phenyl]-1H-Imidazol-5-Yl}-N-[(1S)-1-Phenylethyl]-2-Pyrimidinamine

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Properties Simple | Detailed

Formula C28H29F3N6
IUPAC Name 4-[3-methyl-2-(4-piperidyl)-5-[3-(trifluoromethyl)phenyl]imidazol-3-ium-5-ylium-4-yl]-n-[(1s)-1-phenylethyl]pyrimidin-2-amine
Molecular Mass 506.565 g·mol−1
Heat of Formation -221.2 ± 16.7 kJ·mol−1
Dipole Moment 8.83 ± 1.08 D
Volume 598.32 Å 3
Surface Area 503.71 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[3-methyl-2-(4-piperidinyl)-5-[3-(trifluoromethyl)phenyl]-4-imidazolyl]-n-[(1s)-1-phenylethyl]-2-pyrimidinamine
  • 4-[3-methyl-2-(4-piperidyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-n-[(1s)-1-phenylethyl]pyrimidin-2-amine
  • 4-[3-methyl-2-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-n-[(1s)-1-phenylethyl]pyrimidin-2-amine
  • 4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1h-imidazol-2-yl]-piperidine
  • [4-[3-methyl-2-(4-piperidyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrimidin-2-yl]-[(1s)-1-phenylethyl]amine
InChIKey QICPQLFMWYQJGX-SFHVURJKSA-N
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