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

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Properties Simple | Detailed

Formula C28H33ClN6O3
IUPAC Name (3e)-4-[[(2s)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]pyridin-2-one
Molecular Mass 537.053 g·mol−1
Heat of Formation -155.3 ± 16.7 kJ·mol−1
Dipole Moment 9.51 ± 1.08 D
Volume 627.87 Å 3
Surface Area 539.12 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • (3e)-4-[[(2s)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]-2-pyridone
  • (3e)-4-[[(2s)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]pyridin-2-one
  • (3e)-4-[[(2s)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[4-(2-methoxyethyl)-1-piperazinyl]-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]-2-pyridinone
  • (3e)-4-[[(2s)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]pyridin-2-one
InChIKey LETPEVPNWQUPKA-IWEPOMFFSA-N
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