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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).