Formula |
C22H20ClN5O |
IUPAC Name |
4-[[5-[[4-(3-chlorophenyl)-3-oxo-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile |
Molecular Mass |
405.880 g·mol−1 |
Heat of Formation |
300.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.23 ± 1.08 D |
Volume |
476.37 Å 3 |
Surface Area |
400.39 Å 2 |
HOMO Energy |
-9.27 ± 0.55 eV |
LUMO Energy |
1.84 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-[(5-{[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl}-1h-imidazol-1-yl)methyl]benzonitrile
- 4-[[5-[[4-(3-chlorophenyl)-3-keto-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile
- 4-[[5-[[4-(3-chlorophenyl)-3-oxo-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile
- 4-[[5-[[4-(3-chlorophenyl)-3-oxo-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile
- 4-[[5-[[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile
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InChIKey |
JNUGFGAVPBYSHF-UHFFFAOYSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
Cl
O
N
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