(5R)-5-cyclopropyl-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylimidazolidine-2,4-dione

C16H17F3N2O3 — CID 94385279

IUPAC(5R)-5-cyclopropyl-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(C2CC2)NC(=O)N(C[C@H](O)c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C16H17F3N2O3/c1-15(10-6-7-10)13(23)21(14(24)20-15)8-12(22)9-2-4-11(5-3-9)16(17,18)19/h2-5,10,12,22H,6-8H2,1H3,(H,20,24)/t12-,15+/m0/s1
InChIKeyOCLISMMDNIIGSA-SWLSCSKDSA-N
MW342.32 g/mol
LogP2.46
Rot. Bonds4

About (5R)-5-cyclopropyl-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylimidazolidine-2,4-dione

(5R)-5-cyclopropyl-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 94385279) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is (5R)-5-cyclopropyl-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-cyclopropyl-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylimidazolidine-2,4-dione
PubChem CID94385279
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name(5R)-5-cyclopropyl-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(C2CC2)NC(=O)N(C[C@H](O)c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C16H17F3N2O3/c1-15(10-6-7-10)13(23)21(14(24)20-15)8-12(22)9-2-4-11(5-3-9)16(17,18)19/h2-5,10,12,22H,6-8H2,1H3,(H,20,24)/t12-,15+/m0/s1
InChIKeyOCLISMMDNIIGSA-SWLSCSKDSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.46
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

3-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 94385012
[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 9279347
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 29331962
3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 32519562
(3aR,7aR)-2-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 100841976
(3aR,7aR)-2-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 124786608
5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 84601768
(5S)-5-cyclopropyl-3-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-5-methylimidazolidine-2,4-dione
CID 31569633
4-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]benzonitrile
CID 18086907
5-cyclopropyl-5-methyl-3-(2-phenylsulfanylpropyl)imidazolidine-2,4-dione
CID 86783072
5,5-diethyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidine-2,4-dione
CID 51086545
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 40798579

Frequently Asked Questions

What is the IUPAC name of (5R)-5-cyclopropyl-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-cyclopropyl-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylimidazolidine-2,4-dione (CID 94385279) is (5R)-5-cyclopropyl-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-cyclopropyl-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-cyclopropyl-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylimidazolidine-2,4-dione is C[C@]1(C2CC2)NC(=O)N(C[C@H](O)c2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of (5R)-5-cyclopropyl-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is OCLISMMDNIIGSA-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c1-15(10-6-7-10)13(23)21(14(24)20-15)8-12(22)9-2-4-11(5-3-9)16(17,18)19/h2-5,10,12,22H,6-8H2,1H3,(H,20,24)/t12-,15+/m0/s1.
What are the key properties of (5R)-5-cyclopropyl-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-cyclopropyl-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 342.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-cyclopropyl-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 94385279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).