4-[4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-5-methyl-2-(trifluoromethyl)benzonitrile

C20H16F3N3O3 — CID 71460776

IUPAC4-[4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-5-methyl-2-(trifluoromethyl)benzonitrile
SMILESCc1cc(C#N)c(C(F)(F)F)cc1N1C(=O)N(C)C(C)(c2ccc(O)cc2)C1=O
InChIInChI=1S/C20H16F3N3O3/c1-11-8-12(10-24)15(20(21,22)23)9-16(11)26-17(28)19(2,25(3)18(26)29)13-4-6-14(27)7-5-13/h4-9,27H,1-3H3
InChIKeyXSCIIJCWTGDBCE-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.90
Rot. Bonds2

About 4-[4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-5-methyl-2-(trifluoromethyl)benzonitrile

4-[4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-5-methyl-2-(trifluoromethyl)benzonitrile (PubChem CID 71460776) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is 4-[4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-5-methyl-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-5-methyl-2-(trifluoromethyl)benzonitrile
PubChem CID71460776
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC Name4-[4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-5-methyl-2-(trifluoromethyl)benzonitrile
SMILESCc1cc(C#N)c(C(F)(F)F)cc1N1C(=O)N(C)C(C)(c2ccc(O)cc2)C1=O
InChIInChI=1S/C20H16F3N3O3/c1-11-8-12(10-24)15(20(21,22)23)9-16(11)26-17(28)19(2,25(3)18(26)29)13-4-6-14(27)7-5-13/h4-9,27H,1-3H3
InChIKeyXSCIIJCWTGDBCE-UHFFFAOYSA-N
XLogP3.90
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-5-methyl-2-(trifluoromethyl)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-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-5-methyl-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-5-methyl-2-(trifluoromethyl)benzonitrile (CID 71460776) is 4-[4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-5-methyl-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-5-methyl-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-5-methyl-2-(trifluoromethyl)benzonitrile is Cc1cc(C#N)c(C(F)(F)F)cc1N1C(=O)N(C)C(C)(c2ccc(O)cc2)C1=O.
What is the InChIKey of 4-[4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-5-methyl-2-(trifluoromethyl)benzonitrile?
The InChIKey is XSCIIJCWTGDBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c1-11-8-12(10-24)15(20(21,22)23)9-16(11)26-17(28)19(2,25(3)18(26)29)13-4-6-14(27)7-5-13/h4-9,27H,1-3H3.
What are the key properties of 4-[4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-5-methyl-2-(trifluoromethyl)benzonitrile?
4-[4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-5-methyl-2-(trifluoromethyl)benzonitrile has a molecular weight of 403.36 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-5-methyl-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 71460776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).