(4-Benzyl-1-Piperidinyl){4-[(1H-Imidazo[4,5-C]Pyridin-2-Ylsulfanyl)Methyl]Phenyl}Methanone

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Properties Simple | Detailed

Formula C26H26N4OS
IUPAC Name (4-benzyl-1-piperidyl)-[4-(imidazo[4,5-c]pyridin-3-ium-2-ylsulfanylmethyl)phenyl]methanone
Molecular Mass 442.576 g·mol−1
Heat of Formation 219.2 ± 16.7 kJ·mol−1
Dipole Moment 5.08 ± 1.08 D
Volume 533.18 Å 3
Surface Area 458.74 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • [4-(3h-imidazo[5,4-c]pyridin-2-ylsulfanylmethyl)phenyl]-[4-(phenylmethyl)-1-piperidyl]methanone
  • [4-(3h-imidazo[5,4-c]pyridin-2-ylsulfanylmethyl)phenyl]-[4-(phenylmethyl)piperidin-1-yl]methanone
  • [4-(benzyl)-1-piperidyl]-[4-[(3h-imidazo[5,4-c]pyridin-2-ylthio)methyl]phenyl]methanone
  • [4-[(3h-imidazo[5,4-c]pyridin-2-ylthio)methyl]phenyl]-[4-(phenylmethyl)-1-piperidinyl]methanone
InChIKey KFOSXSJIKYKUQH-UHFFFAOYSA-N
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