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

C23H19F3N2O3 — CID 52537686

IUPAC(5S)-3-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[C@H](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)/t19-,22-/m0/s1
InChIKeyDBRDZSPJDUCMIN-UGKGYDQZSA-N
MW428.41 g/mol
LogP4.36
Rot. Bonds4

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

(5S)-3-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (PubChem CID 52537686) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is (5S)-3-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
PubChem CID52537686
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name(5S)-3-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[C@H](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)/t19-,22-/m0/s1
InChIKeyDBRDZSPJDUCMIN-UGKGYDQZSA-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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Related Compounds

N-[2-[[(1S,2S)-3-[(2,4-dimethylphenyl)methylamino]-1-hydroxy-1-phenylpropan-2-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 10186010
N-[2-[[(1R,2S)-3-[(2,4-dimethylphenyl)methylamino]-1-hydroxy-1-phenylpropan-2-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 10164641
5-(4-Fluorophenyl)-3-[2-hydroxy-3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propyl]-5-methylimidazolidine-2,4-dione
CID 145990459
3-(2-Hydroxy-2-phenylethyl)-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4827415
5-[hydroxy-[4-[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-6-yl]phenyl]methyl]-5-methylimidazolidine-2,4-dione
CID 10366330
N-[2-[[3-[(2,4-dimethylphenyl)methylamino]-1-hydroxy-1-phenylpropan-2-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 69991967
N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 70230856
3-[5-[4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenyl]pentyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 89151975
2-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]naphthalene-2,6-dicarboxamide
CID 90776585
8,8-Difluoro-3-[2-[4-[2-(hydroxymethyl)phenyl]phenyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 118366514
N-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118957426
8,8-Difluoro-3-[2-[4-[2-(1-hydroxyethyl)phenyl]phenyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 124169929

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (CID 52537686) is (5S)-3-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[C@H](O)c2ccccc2C(F)(F)F)C1=O.
What is the InChIKey of (5S)-3-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The InChIKey is DBRDZSPJDUCMIN-UGKGYDQZSA-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)/t19-,22-/m0/s1.
What are the key properties of (5S)-3-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
(5S)-3-[(2R)-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 (5S)-3-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 52537686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).