3-[4-amino-3-(trifluoromethyl)phenyl]-1-[(5-fluoro-2-methylsulfonylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione

C20H19F4N3O4S — CID 70255339

IUPAC3-[4-amino-3-(trifluoromethyl)phenyl]-1-[(5-fluoro-2-methylsulfonylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2ccc(N)c(C(F)(F)F)c2)C(=O)N1Cc1cc(F)ccc1S(C)(=O)=O
InChIInChI=1S/C20H19F4N3O4S/c1-19(2)17(28)27(13-5-6-15(25)14(9-13)20(22,23)24)18(29)26(19)10-11-8-12(21)4-7-16(11)32(3,30)31/h4-9H,10,25H2,1-3H3
InChIKeyWEXRSWFRGXPPGQ-UHFFFAOYSA-N
MW473.45 g/mol
LogP3.58
Rot. Bonds4

About 3-[4-amino-3-(trifluoromethyl)phenyl]-1-[(5-fluoro-2-methylsulfonylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione

3-[4-amino-3-(trifluoromethyl)phenyl]-1-[(5-fluoro-2-methylsulfonylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 70255339) has the molecular formula C20H19F4N3O4S and a molecular weight of 473.45 g/mol. Its IUPAC name is 3-[4-amino-3-(trifluoromethyl)phenyl]-1-[(5-fluoro-2-methylsulfonylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-amino-3-(trifluoromethyl)phenyl]-1-[(5-fluoro-2-methylsulfonylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID70255339
Molecular FormulaC20H19F4N3O4S
Molecular Weight473.45 g/mol
Exact Mass473.10
IUPAC Name3-[4-amino-3-(trifluoromethyl)phenyl]-1-[(5-fluoro-2-methylsulfonylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2ccc(N)c(C(F)(F)F)c2)C(=O)N1Cc1cc(F)ccc1S(C)(=O)=O
InChIInChI=1S/C20H19F4N3O4S/c1-19(2)17(28)27(13-5-6-15(25)14(9-13)20(22,23)24)18(29)26(19)10-11-8-12(21)4-7-16(11)32(3,30)31/h4-9H,10,25H2,1-3H3
InChIKeyWEXRSWFRGXPPGQ-UHFFFAOYSA-N
XLogP3.58
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-[4-amino-3-(trifluoromethyl)phenyl]-1-[(5-fluoro-2-methylsulfonylphenyl)methyl]-5,5-dimethylimidazolidine-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 3-[4-amino-3-(trifluoromethyl)phenyl]-1-[(5-fluoro-2-methylsulfonylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[4-amino-3-(trifluoromethyl)phenyl]-1-[(5-fluoro-2-methylsulfonylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 70255339) is 3-[4-amino-3-(trifluoromethyl)phenyl]-1-[(5-fluoro-2-methylsulfonylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-amino-3-(trifluoromethyl)phenyl]-1-[(5-fluoro-2-methylsulfonylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[4-amino-3-(trifluoromethyl)phenyl]-1-[(5-fluoro-2-methylsulfonylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)N(c2ccc(N)c(C(F)(F)F)c2)C(=O)N1Cc1cc(F)ccc1S(C)(=O)=O.
What is the InChIKey of 3-[4-amino-3-(trifluoromethyl)phenyl]-1-[(5-fluoro-2-methylsulfonylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is WEXRSWFRGXPPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N3O4S/c1-19(2)17(28)27(13-5-6-15(25)14(9-13)20(22,23)24)18(29)26(19)10-11-8-12(21)4-7-16(11)32(3,30)31/h4-9H,10,25H2,1-3H3.
What are the key properties of 3-[4-amino-3-(trifluoromethyl)phenyl]-1-[(5-fluoro-2-methylsulfonylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[4-amino-3-(trifluoromethyl)phenyl]-1-[(5-fluoro-2-methylsulfonylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 473.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-3-(trifluoromethyl)phenyl]-1-[(5-fluoro-2-methylsulfonylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 70255339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).