(3Z)-4-{[(2S)-2-(3-Chlorophenyl)-2-Hydroxyethyl]Amino}-3-[4-Methyl-6-(4-Morpholinyl)-1,3-Dihydro-2H-Benzimidazol-2-Ylidene]-2(3H)-Pyridinone

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Properties Simple | Detailed

Formula C24H17ClN5O3
IUPAC Name (3z)-4-[[(2s)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-(4-methyl-6-morpholin-4-yl-1,3-dihydrobenzimidazol-2-ylidene)pyridin-2-one
Molecular Mass 458.876 g·mol−1
Heat of Formation -180.5 ± 16.7 kJ·mol−1
Dipole Moment 8.37 ± 1.08 D
Volume 545.3 Å 3
Surface Area 469.91 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
Synonyms
  • (3z)-4-[[(2s)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-3-(4-methyl-6-morpholin-4-yl-1,3-dihydrobenzimidazol-2-ylidene)pyridin-2-one
  • (3z)-4-[[(2s)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-3-(4-methyl-6-morpholino-1,3-dihydrobenzimidazol-2-ylidene)-2-pyridone
  • (3z)-4-[[(2s)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-3-(4-methyl-6-morpholino-1,3-dihydrobenzimidazol-2-ylidene)pyridin-2-one
  • (3z)-4-[[(2s)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-(4-methyl-6-morpholino-1,3-dihydrobenzimidazol-2-ylidene)-2-pyridinone
InChIKey UGQMURPIMYALPH-KKPVDXMRSA-N
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