(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

Molecule SVG Image

Properties Simple | Detailed

Formula C28H35ClN6O3
IUPAC Name 4-[[(2s)-2-(3-chlorobenzene-2,4,5,6-tetraid-1-yl)-2-hydroxy-ethyl]amino]-5-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-methyl-1h-benzimidazol-3-ium-6-id-2-yl]-2h-pyridin-2-ylium-4,5-diid-6-one
Molecular Mass 539.069 g·mol−1
Heat of Formation -159.1 ± 16.7 kJ·mol−1
Dipole Moment 9.43 ± 1.08 D
Volume 631.61 Å 3
Surface Area 536.27 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy -1.09 ± 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl