4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]benzonitrile

C20H14F3N3O4 — CID 155556388

IUPAC4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]benzonitrile
SMILESCC1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2cccc(OC(F)(F)F)c2)C1=O
InChIInChI=1S/C20H14F3N3O4/c1-19(14-7-5-12(10-24)6-8-14)17(28)26(18(29)25-19)11-16(27)13-3-2-4-15(9-13)30-20(21,22)23/h2-9H,11H2,1H3,(H,25,29)
InChIKeyDQKWYFWPUQGNCV-UHFFFAOYSA-N
MW417.34 g/mol
LogP3.11
Rot. Bonds5

About 4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]benzonitrile

4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]benzonitrile (PubChem CID 155556388) has the molecular formula C20H14F3N3O4 and a molecular weight of 417.34 g/mol. Its IUPAC name is 4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]benzonitrile
PubChem CID155556388
Molecular FormulaC20H14F3N3O4
Molecular Weight417.34 g/mol
Exact Mass417.09
IUPAC Name4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]benzonitrile
SMILESCC1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2cccc(OC(F)(F)F)c2)C1=O
InChIInChI=1S/C20H14F3N3O4/c1-19(14-7-5-12(10-24)6-8-14)17(28)26(18(29)25-19)11-16(27)13-3-2-4-15(9-13)30-20(21,22)23/h2-9H,11H2,1H3,(H,25,29)
InChIKeyDQKWYFWPUQGNCV-UHFFFAOYSA-N
XLogP3.11
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]benzonitrile 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 4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]benzonitrile?
The IUPAC name of 4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]benzonitrile (CID 155556388) is 4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]benzonitrile?
The canonical SMILES for 4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]benzonitrile is CC1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2cccc(OC(F)(F)F)c2)C1=O.
What is the InChIKey of 4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]benzonitrile?
The InChIKey is DQKWYFWPUQGNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O4/c1-19(14-7-5-12(10-24)6-8-14)17(28)26(18(29)25-19)11-16(27)13-3-2-4-15(9-13)30-20(21,22)23/h2-9H,11H2,1H3,(H,25,29).
What are the key properties of 4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]benzonitrile?
4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]benzonitrile has a molecular weight of 417.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]benzonitrile is sourced from PubChem (CID 155556388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).