Formula |
C28H30ClN7O2 |
IUPAC Name |
3-[4-[(2e)-2-[4-[[(2s)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-2-oxo-3-pyridylidene]-7-methyl-1,3-dihydrobenzimidazol-5-yl]piperazin-1-yl]propanenitrile |
Molecular Mass |
532.036 g·mol−1 |
Heat of Formation |
110.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.86 ± 1.08 D |
Volume |
618.14 Å 3 |
Surface Area |
500.62 Å 2 |
HOMO Energy |
-8.15 ± 0.55 eV |
LUMO Energy |
2.23 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-[4-[(2e)-2-[4-[[(2s)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-2-keto-3-pyridylidene]-7-methyl-1,3-dihydrobenzimidazol-5-yl]piperazin-1-yl]propionitrile
- 3-[4-[(2e)-2-[4-[[(2s)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-2-oxo-3-pyridylidene]-7-methyl-1,3-dihydrobenzimidazol-5-yl]piperazin-1-yl]propanenitrile
- 3-[4-[(2e)-2-[4-[[(2s)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-2-oxo-pyridin-3-ylidene]-7-methyl-1,3-dihydrobenzimidazol-5-yl]piperazin-1-yl]propanenitrile
- 3-[4-[(2e)-2-[4-[[(2s)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-3-pyridylidene]-7-methyl-1,3-dihydrobenzimidazol-5-yl]-1-piperazinyl]propanenitrile
- 3-[4-[(2e)-2-[4-[[(2s)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxopyridin-3-ylidene]-7-methyl-1,3-dihydrobenzimidazol-5-yl]piperazin-1-yl]propanenitrile
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InChIKey |
ATYVNAJZCAQFEZ-IWEPOMFFSA-N |
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Elements |
H
C
N
O
Cl
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