About 2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 22969435) has the molecular formula C26H32F4N4OSi
and a molecular weight of 520.65 g/mol. Its IUPAC name is 2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane |
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| PubChem CID | 22969435 |
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| Molecular Formula | C26H32F4N4OSi |
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| Molecular Weight | 520.65 g/mol |
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| Exact Mass | 520.23 |
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| IUPAC Name | 2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane |
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| SMILES | C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2ccc(F)cc2)CC1 |
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| InChI | InChI=1S/C26H32F4N4OSi/c1-36(2,3)16-15-35-19-34-18-24(20-5-4-6-21(17-20)26(28,29)30)31-25(34)33-13-11-32(12-14-33)23-9-7-22(27)8-10-23/h4-10,17-18H,11-16,19H2,1-3H3 |
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| InChIKey | QZNWKFXHDMAYHO-UHFFFAOYSA-N |
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| XLogP | 6.35 |
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| TPSA | 33.53 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 520.65 |
| LogP ≤ 5 | 6.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 22969435) is 2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is QZNWKFXHDMAYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F4N4OSi/c1-36(2,3)16-15-35-19-34-18-24(20-5-4-6-21(17-20)26(28,29)30)31-25(34)33-13-11-32(12-14-33)23-9-7-22(27)8-10-23/h4-10,17-18H,11-16,19H2,1-3H3.
What are the key properties of 2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 520.65 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 22969435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).