3-methyl-5-(1,2,2,2-tetrachloroethylimino)-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C13H8Cl4F3N3O2 — CID 57049707

IUPAC3-methyl-5-(1,2,2,2-tetrachloroethylimino)-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCN1C(=O)C(=NC(Cl)C(Cl)(Cl)Cl)N(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C13H8Cl4F3N3O2/c1-22-9(24)8(21-10(14)12(15,16)17)23(11(22)25)7-4-2-3-6(5-7)13(18,19)20/h2-5,10H,1H3
InChIKeyYXGBBAJBAHJTKZ-UHFFFAOYSA-N
MW437.03 g/mol
LogP4.44
Rot. Bonds2

About 3-methyl-5-(1,2,2,2-tetrachloroethylimino)-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

3-methyl-5-(1,2,2,2-tetrachloroethylimino)-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 57049707) has the molecular formula C13H8Cl4F3N3O2 and a molecular weight of 437.03 g/mol. Its IUPAC name is 3-methyl-5-(1,2,2,2-tetrachloroethylimino)-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-(1,2,2,2-tetrachloroethylimino)-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID57049707
Molecular FormulaC13H8Cl4F3N3O2
Molecular Weight437.03 g/mol
Exact Mass434.93
IUPAC Name3-methyl-5-(1,2,2,2-tetrachloroethylimino)-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCN1C(=O)C(=NC(Cl)C(Cl)(Cl)Cl)N(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C13H8Cl4F3N3O2/c1-22-9(24)8(21-10(14)12(15,16)17)23(11(22)25)7-4-2-3-6(5-7)13(18,19)20/h2-5,10H,1H3
InChIKeyYXGBBAJBAHJTKZ-UHFFFAOYSA-N
XLogP4.44
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.03
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-[2,2,2-trichloro-1-[2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]anilino]ethyl]imino-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 56982546
3-methyl-5-[2,2,2-trichloro-1-(3-fluoro-N-(3-fluorophenyl)anilino)ethyl]imino-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 57213304
3-methyl-5-[2,2,2-trichloro-1-[(1-ethylthiophen-1-yl)amino]ethyl]imino-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 173439939
3-methyl-5-[2,2,2-trichloro-1-(2-methylsulfonyl-N-(2-methylsulfonylphenyl)anilino)ethyl]imino-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 57228829
3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 10400913
1-(2-fluorophenyl)-3-methyl-5-[2,3,3,3-tetrachloro-1-[4-(trifluoromethyl)anilino]propyl]iminoimidazolidine-2,4-dione
CID 173439680
3-methylidene-2-[3-(trifluoromethyl)phenyl]isoindol-1-one
CID 14662954
2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone
CID 102195126
3,4,4-trimethyl-5-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 57067232
3-chloro-4-(N-ethylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 1180927
3,4-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrole-2,5-dione
CID 71086534
4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione
CID 134116227

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1,2,2,2-tetrachloroethylimino)-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-methyl-5-(1,2,2,2-tetrachloroethylimino)-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 57049707) is 3-methyl-5-(1,2,2,2-tetrachloroethylimino)-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-(1,2,2,2-tetrachloroethylimino)-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-methyl-5-(1,2,2,2-tetrachloroethylimino)-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is CN1C(=O)C(=NC(Cl)C(Cl)(Cl)Cl)N(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 3-methyl-5-(1,2,2,2-tetrachloroethylimino)-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is YXGBBAJBAHJTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4F3N3O2/c1-22-9(24)8(21-10(14)12(15,16)17)23(11(22)25)7-4-2-3-6(5-7)13(18,19)20/h2-5,10H,1H3.
What are the key properties of 3-methyl-5-(1,2,2,2-tetrachloroethylimino)-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
3-methyl-5-(1,2,2,2-tetrachloroethylimino)-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 437.03 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1,2,2,2-tetrachloroethylimino)-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 57049707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).