1-{1-[1-(4-Methoxy-2-Methylphenyl)-6-Methyl-2,3-Dihydro-1H-Pyrrolo[2,3-B]Pyridin-4-Yl]-1H-Pyrazol-3-Yl}-2-Imidazolidinone

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Properties Simple | Detailed

Formula C22H24N6O2
IUPAC Name 1-[1-[1-(4-methoxy-2-methyl-phenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-ium-2-id-3-yl]imidazolidin-2-one
Molecular Mass 404.465 g·mol−1
Heat of Formation 137.4 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 475.15 Å 3
Surface Area 413.51 Å 2
HOMO Energy -7.93 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[1-[1-(4-methoxy-2-methyl-phenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
  • 1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]-3-pyrazolyl]-2-imidazolidinone
  • 1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
InChIKey JFHJGXQFESYQGY-UHFFFAOYSA-N
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