2-(trifluoromethyl)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile

C14H12F3N3O2 — CID 11722965

IUPAC2-(trifluoromethyl)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile
SMILESCN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C1(C)C
InChIInChI=1S/C14H12F3N3O2/c1-13(2)11(21)20(12(22)19(13)3)9-5-4-8(7-18)10(6-9)14(15,16)17/h4-6H,1-3H3
InChIKeyWMLOLADEYUIUJD-UHFFFAOYSA-N
MW311.26 g/mol
LogP2.75
Rot. Bonds1

About 2-(trifluoromethyl)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile

2-(trifluoromethyl)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile (PubChem CID 11722965) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile.

Molecular Properties

Compound Name2-(trifluoromethyl)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile
PubChem CID11722965
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC Name2-(trifluoromethyl)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile
SMILESCN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C1(C)C
InChIInChI=1S/C14H12F3N3O2/c1-13(2)11(21)20(12(22)19(13)3)9-5-4-8(7-18)10(6-9)14(15,16)17/h4-6H,1-3H3
InChIKeyWMLOLADEYUIUJD-UHFFFAOYSA-N
XLogP2.75
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(trifluoromethyl)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-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 2-(trifluoromethyl)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile?
The IUPAC name of 2-(trifluoromethyl)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile (CID 11722965) is 2-(trifluoromethyl)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile.
What is the SMILES notation for 2-(trifluoromethyl)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile?
The canonical SMILES for 2-(trifluoromethyl)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile is CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C1(C)C.
What is the InChIKey of 2-(trifluoromethyl)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile?
The InChIKey is WMLOLADEYUIUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c1-13(2)11(21)20(12(22)19(13)3)9-5-4-8(7-18)10(6-9)14(15,16)17/h4-6H,1-3H3.
What are the key properties of 2-(trifluoromethyl)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile?
2-(trifluoromethyl)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile has a molecular weight of 311.26 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile is sourced from PubChem (CID 11722965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).