3-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione

C12H10ClF3N2O2 — CID 3054078

IUPAC3-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O
InChIInChI=1S/C12H10ClF3N2O2/c1-11(2)9(19)18(10(20)17-11)6-3-4-8(13)7(5-6)12(14,15)16/h3-5H,1-2H3,(H,17,20)
InChIKeyMDHZTJZHWWJUND-UHFFFAOYSA-N
MW306.67 g/mol
LogP3.19
Rot. Bonds1

About 3-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione

3-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 3054078) has the molecular formula C12H10ClF3N2O2 and a molecular weight of 306.67 g/mol. Its IUPAC name is 3-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID3054078
Molecular FormulaC12H10ClF3N2O2
Molecular Weight306.67 g/mol
Exact Mass306.04
IUPAC Name3-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O
InChIInChI=1S/C12H10ClF3N2O2/c1-11(2)9(19)18(10(20)17-11)6-3-4-8(13)7(5-6)12(14,15)16/h3-5H,1-2H3,(H,17,20)
InChIKeyMDHZTJZHWWJUND-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.67
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Chloro-phenyl)-1,3-diaza-spiro[4.5]decane-2,4-dione
CID 1448368
5,5-Dimethyl-3-(alpha,alpha,alpha,4-tetrafluoro-3-tolyl)hydantoin
CID 129851
Hydantoin, 5,5-dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-
CID 3054079
N-(4-chloro-2-methylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9534416
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-(1-piperidinyl)acetamide
CID 2200094
6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione
CID 156905883
2-[(4E)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2062489
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2100439
2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 16285296
2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 4845597
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9119833
N-(3-chloro-2-methylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9503157

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (CID 3054078) is 3-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O.
What is the InChIKey of 3-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is MDHZTJZHWWJUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O2/c1-11(2)9(19)18(10(20)17-11)6-3-4-8(13)7(5-6)12(14,15)16/h3-5H,1-2H3,(H,17,20).
What are the key properties of 3-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 306.67 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 3054078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).