Formula |
C26H26FN5O |
IUPAC Name |
2-(2,3-dimethylphenoxy)-4-[5-(4-fluorophenyl)-3-(4-piperidyl)imidazol-3-ium-5-ylium-4-yl]pyrimidine |
Molecular Mass |
443.516 g·mol−1 |
Heat of Formation |
112.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.71 ± 1.08 D |
Volume |
534.26 Å 3 |
Surface Area |
448.15 Å 2 |
HOMO Energy |
-8.84 ± 0.55 eV |
LUMO Energy |
2.20 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-(2,3-dimethylphenoxy)-4-[5-(4-fluorophenyl)-3-(4-piperidinyl)-4-imidazolyl]pyrimidine
- 2-(2,3-dimethylphenoxy)-4-[5-(4-fluorophenyl)-3-(4-piperidyl)imidazol-4-yl]pyrimidine
- 2-(2,3-dimethylphenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-yl-imidazol-4-yl]pyrimidine
- 2-(2,3-dimethylphenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
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InChIKey |
YJNZNIAEANFDMJ-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
F
O
N
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