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

C20H18BrF3N2O4S — CID 68679299

IUPAC1-[(2-bromophenyl)methyl]-5,5-dimethyl-3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C(=O)N1Cc1ccccc1Br
InChIInChI=1S/C20H18BrF3N2O4S/c1-19(2)17(27)26(18(28)25(19)11-12-6-4-5-7-15(12)21)13-8-9-16(31(3,29)30)14(10-13)20(22,23)24/h4-10H,11H2,1-3H3
InChIKeyVBVGCWQVUKYGTE-UHFFFAOYSA-N
MW519.34 g/mol
LogP4.62
Rot. Bonds4

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

1-[(2-bromophenyl)methyl]-5,5-dimethyl-3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 68679299) has the molecular formula C20H18BrF3N2O4S and a molecular weight of 519.34 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-5,5-dimethyl-3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-5,5-dimethyl-3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID68679299
Molecular FormulaC20H18BrF3N2O4S
Molecular Weight519.34 g/mol
Exact Mass518.01
IUPAC Name1-[(2-bromophenyl)methyl]-5,5-dimethyl-3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C(=O)N1Cc1ccccc1Br
InChIInChI=1S/C20H18BrF3N2O4S/c1-19(2)17(27)26(18(28)25(19)11-12-6-4-5-7-15(12)21)13-8-9-16(31(3,29)30)14(10-13)20(22,23)24/h4-10H,11H2,1-3H3
InChIKeyVBVGCWQVUKYGTE-UHFFFAOYSA-N
XLogP4.62
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.34
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-1-benzyl-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
CID 54584429
1-(2-Bromo-4-fluorobenzyl)-3-(4-fluoro-3-thiophen-2-ylphenyl)-5,5-dimethylimidazolidine-2,4-dione
CID 57829263
1-(2-Bromobenzyl)-3-(4-methanesulfinyl-3-trifluoromethylphenyl)-5,5-dimethylimidazolidine-2,4-dione
CID 57829317
4-[4,4-Dimethyl-3-[(2-methylsulfonylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 58360689
1-(2-Bromobenzyl)-5,5-dimethyl-3-(4-methylsulfanyl-3-trifluoromethylphenyl)imidazolidine-2,4-dione
CID 68676199
5-Fluoro-2-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]benzenesulfonamide
CID 69811584
3-[4-Amino-3-(trifluoromethyl)phenyl]-1-[(5-fluoro-2-methylsulfonylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 70255339
2-[(2-bromophenyl)methylamino]-2-methyl-N-[4-methylsulfinyl-3-(trifluoromethyl)phenyl]propanamide
CID 71127061
1-[(Z)-4-chlorobut-2-enyl]-5,5-dimethyl-3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 118211049
3-[4-Methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 118211180
1-(4-Chlorobut-2-enyl)-5,5-dimethyl-3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 173654438
1-[4-Methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 174951444

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-5,5-dimethyl-3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[(2-bromophenyl)methyl]-5,5-dimethyl-3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 68679299) is 1-[(2-bromophenyl)methyl]-5,5-dimethyl-3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-5,5-dimethyl-3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-5,5-dimethyl-3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is CC1(C)C(=O)N(c2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C(=O)N1Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-5,5-dimethyl-3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is VBVGCWQVUKYGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrF3N2O4S/c1-19(2)17(27)26(18(28)25(19)11-12-6-4-5-7-15(12)21)13-8-9-16(31(3,29)30)14(10-13)20(22,23)24/h4-10H,11H2,1-3H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-5,5-dimethyl-3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
1-[(2-bromophenyl)methyl]-5,5-dimethyl-3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 519.34 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-5,5-dimethyl-3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 68679299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).