About (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione
(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione (PubChem CID 90769418) has the molecular formula C25H17F4N3O3
and a molecular weight of 483.42 g/mol. Its IUPAC name is (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione.
Molecular Properties
| Compound Name | (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione |
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| PubChem CID | 90769418 |
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| Molecular Formula | C25H17F4N3O3 |
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| Molecular Weight | 483.42 g/mol |
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| Exact Mass | 483.12 |
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| IUPAC Name | (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione |
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| SMILES | O=C1NC(=O)[C@@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccccc3C(F)(F)F)cc2)N1 |
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| InChI | InChI=1S/C25H17F4N3O3/c26-17-10-7-15-12-32(21(33)19(15)11-17)13-24(22(34)30-23(35)31-24)16-8-5-14(6-9-16)18-3-1-2-4-20(18)25(27,28)29/h1-12,33H,13H2,(H2,30,31,34,35)/t24-/m1/s1 |
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| InChIKey | TZEHGZSRRRIPFW-XMMPIXPASA-N |
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| XLogP | 4.91 |
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| TPSA | 83.36 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 483.42 |
| LogP ≤ 5 | 4.91 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydantoin', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione (CID 90769418) is (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccccc3C(F)(F)F)cc2)N1.
What is the InChIKey of (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione?
The InChIKey is TZEHGZSRRRIPFW-XMMPIXPASA-N. The full InChI is InChI=1S/C25H17F4N3O3/c26-17-10-7-15-12-32(21(33)19(15)11-17)13-24(22(34)30-23(35)31-24)16-8-5-14(6-9-16)18-3-1-2-4-20(18)25(27,28)29/h1-12,33H,13H2,(H2,30,31,34,35)/t24-/m1/s1.
What are the key properties of (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione?
(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 483.42 g/mol, XLogP of 4.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90769418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).