1-(2-fluorophenyl)-3-methyl-5-(2,2,2-trichloroethylimino)imidazolidine-2,4-dione

C12H9Cl3FN3O2 — CID 88771593

IUPAC1-(2-fluorophenyl)-3-methyl-5-(2,2,2-trichloroethylimino)imidazolidine-2,4-dione
SMILESCN1C(=O)/C(=N\CC(Cl)(Cl)Cl)N(c2ccccc2F)C1=O
InChIInChI=1S/C12H9Cl3FN3O2/c1-18-10(20)9(17-6-12(13,14)15)19(11(18)21)8-5-3-2-4-7(8)16/h2-5H,6H2,1H3/b17-9+
InChIKeyGVYUCSPCJGRNPS-RQZCQDPDSA-N
MW352.58 g/mol
LogP2.99
Rot. Bonds2

About 1-(2-fluorophenyl)-3-methyl-5-(2,2,2-trichloroethylimino)imidazolidine-2,4-dione

1-(2-fluorophenyl)-3-methyl-5-(2,2,2-trichloroethylimino)imidazolidine-2,4-dione (PubChem CID 88771593) has the molecular formula C12H9Cl3FN3O2 and a molecular weight of 352.58 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-methyl-5-(2,2,2-trichloroethylimino)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-methyl-5-(2,2,2-trichloroethylimino)imidazolidine-2,4-dione
PubChem CID88771593
Molecular FormulaC12H9Cl3FN3O2
Molecular Weight352.58 g/mol
Exact Mass350.97
IUPAC Name1-(2-fluorophenyl)-3-methyl-5-(2,2,2-trichloroethylimino)imidazolidine-2,4-dione
SMILESCN1C(=O)/C(=N\CC(Cl)(Cl)Cl)N(c2ccccc2F)C1=O
InChIInChI=1S/C12H9Cl3FN3O2/c1-18-10(20)9(17-6-12(13,14)15)19(11(18)21)8-5-3-2-4-7(8)16/h2-5H,6H2,1H3/b17-9+
InChIKeyGVYUCSPCJGRNPS-RQZCQDPDSA-N
XLogP2.99
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.58
LogP ≤ 52.99
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'}

Analyze 1-(2-fluorophenyl)-3-methyl-5-(2,2,2-trichloroethylimino)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-fluorophenyl)-3-methyl-5-(2,2,2-trichloroethylimino)imidazolidine-2,4-dione?
The IUPAC name of 1-(2-fluorophenyl)-3-methyl-5-(2,2,2-trichloroethylimino)imidazolidine-2,4-dione (CID 88771593) is 1-(2-fluorophenyl)-3-methyl-5-(2,2,2-trichloroethylimino)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(2-fluorophenyl)-3-methyl-5-(2,2,2-trichloroethylimino)imidazolidine-2,4-dione?
The canonical SMILES for 1-(2-fluorophenyl)-3-methyl-5-(2,2,2-trichloroethylimino)imidazolidine-2,4-dione is CN1C(=O)/C(=N\CC(Cl)(Cl)Cl)N(c2ccccc2F)C1=O.
What is the InChIKey of 1-(2-fluorophenyl)-3-methyl-5-(2,2,2-trichloroethylimino)imidazolidine-2,4-dione?
The InChIKey is GVYUCSPCJGRNPS-RQZCQDPDSA-N. The full InChI is InChI=1S/C12H9Cl3FN3O2/c1-18-10(20)9(17-6-12(13,14)15)19(11(18)21)8-5-3-2-4-7(8)16/h2-5H,6H2,1H3/b17-9+.
What are the key properties of 1-(2-fluorophenyl)-3-methyl-5-(2,2,2-trichloroethylimino)imidazolidine-2,4-dione?
1-(2-fluorophenyl)-3-methyl-5-(2,2,2-trichloroethylimino)imidazolidine-2,4-dione has a molecular weight of 352.58 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-methyl-5-(2,2,2-trichloroethylimino)imidazolidine-2,4-dione is sourced from PubChem (CID 88771593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).