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

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Properties Simple | Detailed

Formula C29H34F3N5
IUPAC Name n-[(1s,3z,5z)-cycloocta-3,5-dien-1-yl]-4-[3-methyl-2-(4-piperidyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-ium-4-id-4-yl]-3h-pyridin-1-ium-3-id-2-amine
Molecular Mass 509.609 g·mol−1
Heat of Formation -278.8 ± 16.7 kJ·mol−1
Dipole Moment 6.63 ± 1.08 D
Volume 602.19 Å 3
Surface Area 493.29 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[3-methyl-2-(4-piperidinyl)-5-[3-(trifluoromethyl)phenyl]-4-imidazolyl]-n-[(1s)-1-phenylethyl]-2-pyridinamine
  • 4-[3-methyl-2-(4-piperidyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-n-[(1s)-1-phenylethyl]pyridin-2-amine
  • 4-[3-methyl-2-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-n-[(1s)-1-phenylethyl]pyridin-2-amine
  • [4-[3-methyl-2-(4-piperidyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-2-pyridyl]-[(1s)-1-phenylethyl]amine
InChIKey ZLQKJFNLHHGAQF-IBGZPJMESA-N
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Elements H C N F