About [3-[1-(3-chlorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone
[3-[1-(3-chlorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 175265929) has the molecular formula C25H24ClF3N4O2
and a molecular weight of 504.94 g/mol. Its IUPAC name is [3-[1-(3-chlorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone.
Molecular Properties
| Compound Name | [3-[1-(3-chlorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone |
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| PubChem CID | 175265929 |
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| Molecular Formula | C25H24ClF3N4O2 |
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| Molecular Weight | 504.94 g/mol |
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| Exact Mass | 504.15 |
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| IUPAC Name | [3-[1-(3-chlorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone |
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| SMILES | O=C(N1CC(O)C1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2cn(-c3cccc(Cl)c3)cn2)C1 |
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| InChI | InChI=1S/C25H24ClF3N4O2/c26-20-2-1-3-21(9-20)33-14-23(30-15-33)18-8-17(16-4-6-19(7-5-16)25(27,28)29)10-31(11-18)24(35)32-12-22(34)13-32/h1-7,9,14-15,17-18,22,34H,8,10-13H2 |
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| InChIKey | SCLLBNLWUDPXME-UHFFFAOYSA-N |
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| XLogP | 4.91 |
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| TPSA | 61.60 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 504.94 |
| LogP ≤ 5 | 4.91 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of [3-[1-(3-chlorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [3-[1-(3-chlorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone (CID 175265929) is [3-[1-(3-chlorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [3-[1-(3-chlorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [3-[1-(3-chlorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone is O=C(N1CC(O)C1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2cn(-c3cccc(Cl)c3)cn2)C1.
What is the InChIKey of [3-[1-(3-chlorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is SCLLBNLWUDPXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF3N4O2/c26-20-2-1-3-21(9-20)33-14-23(30-15-33)18-8-17(16-4-6-19(7-5-16)25(27,28)29)10-31(11-18)24(35)32-12-22(34)13-32/h1-7,9,14-15,17-18,22,34H,8,10-13H2.
What are the key properties of [3-[1-(3-chlorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone?
[3-[1-(3-chlorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 504.94 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(3-chlorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 175265929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).