3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione

C23H19F3N2O3 — CID 51124214

IUPAC3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(O)c2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C23H19F3N2O3/c1-22(16-11-10-14-6-2-3-7-15(14)12-16)20(30)28(21(31)27-22)13-19(29)17-8-4-5-9-18(17)23(24,25)26/h2-12,19,29H,13H2,1H3,(H,27,31)
InChIKeyDBRDZSPJDUCMIN-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.36
Rot. Bonds4

About 3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione

3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (PubChem CID 51124214) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is 3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
PubChem CID51124214
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(O)c2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C23H19F3N2O3/c1-22(16-11-10-14-6-2-3-7-15(14)12-16)20(30)28(21(31)27-22)13-19(29)17-8-4-5-9-18(17)23(24,25)26/h2-12,19,29H,13H2,1H3,(H,27,31)
InChIKeyDBRDZSPJDUCMIN-UHFFFAOYSA-N
XLogP4.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (CID 51124214) is 3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is CC1(c2ccc3ccccc3c2)NC(=O)N(CC(O)c2ccccc2C(F)(F)F)C1=O.
What is the InChIKey of 3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The InChIKey is DBRDZSPJDUCMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c1-22(16-11-10-14-6-2-3-7-15(14)12-16)20(30)28(21(31)27-22)13-19(29)17-8-4-5-9-18(17)23(24,25)26/h2-12,19,29H,13H2,1H3,(H,27,31).
What are the key properties of 3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione has a molecular weight of 428.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 51124214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).