4-[4,4-dimethyl-2,5-dioxo-3-[2-(quinolin-2-ylamino)ethyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

C24H20F3N5O2 — CID 175136205

IUPAC4-[4,4-dimethyl-2,5-dioxo-3-[2-(quinolin-2-ylamino)ethyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
SMILESCC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCNc1ccc2ccccc2n1
InChIInChI=1S/C24H20F3N5O2/c1-23(2)21(33)32(17-9-7-16(14-28)18(13-17)24(25,26)27)22(34)31(23)12-11-29-20-10-8-15-5-3-4-6-19(15)30-20/h3-10,13H,11-12H2,1-2H3,(H,29,30)
InChIKeyPPJKRRJUVNRBJA-UHFFFAOYSA-N
MW467.45 g/mol
LogP4.78
Rot. Bonds5

About 4-[4,4-dimethyl-2,5-dioxo-3-[2-(quinolin-2-ylamino)ethyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

4-[4,4-dimethyl-2,5-dioxo-3-[2-(quinolin-2-ylamino)ethyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile (PubChem CID 175136205) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is 4-[4,4-dimethyl-2,5-dioxo-3-[2-(quinolin-2-ylamino)ethyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[4,4-dimethyl-2,5-dioxo-3-[2-(quinolin-2-ylamino)ethyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
PubChem CID175136205
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC Name4-[4,4-dimethyl-2,5-dioxo-3-[2-(quinolin-2-ylamino)ethyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
SMILESCC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCNc1ccc2ccccc2n1
InChIInChI=1S/C24H20F3N5O2/c1-23(2)21(33)32(17-9-7-16(14-28)18(13-17)24(25,26)27)22(34)31(23)12-11-29-20-10-8-15-5-3-4-6-19(15)30-20/h3-10,13H,11-12H2,1-2H3,(H,29,30)
InChIKeyPPJKRRJUVNRBJA-UHFFFAOYSA-N
XLogP4.78
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4,4-dimethyl-2,5-dioxo-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 58360653
4-[4,4-dimethyl-3-[3-(2-methylquinolin-6-yl)oxypropyl]-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 118182483
4-[3-[(2-chlorophenyl)methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 58360660
4-[4,4-dimethyl-2,5-dioxo-3-(4-phenylmethoxybutyl)imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 22116909
4-[4,4-dimethyl-2,5-dioxo-3-[(2-phenoxyphenyl)methyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 58360663
4-(3,3,4,4-tetramethyl-2,5-dioxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
CID 18409445
ethyl 2-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]acetate
CID 22116931
4-[4,4-dimethyl-2,5-dioxo-3-[(4-pyridin-3-ylphenyl)methyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 118182315
4-[2-[[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]anilino]benzene-1,3-dicarboxylic acid
CID 68677224
4-[3-[[2-[(2-methoxypyrimidin-5-yl)amino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 68676969
4-[(4R)-3-(methoxymethyl)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 173055273
3-[2-[[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]anilino]benzoic acid
CID 68678763

Frequently Asked Questions

What is the IUPAC name of 4-[4,4-dimethyl-2,5-dioxo-3-[2-(quinolin-2-ylamino)ethyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[4,4-dimethyl-2,5-dioxo-3-[2-(quinolin-2-ylamino)ethyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile (CID 175136205) is 4-[4,4-dimethyl-2,5-dioxo-3-[2-(quinolin-2-ylamino)ethyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[4,4-dimethyl-2,5-dioxo-3-[2-(quinolin-2-ylamino)ethyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[4,4-dimethyl-2,5-dioxo-3-[2-(quinolin-2-ylamino)ethyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile is CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCNc1ccc2ccccc2n1.
What is the InChIKey of 4-[4,4-dimethyl-2,5-dioxo-3-[2-(quinolin-2-ylamino)ethyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile?
The InChIKey is PPJKRRJUVNRBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c1-23(2)21(33)32(17-9-7-16(14-28)18(13-17)24(25,26)27)22(34)31(23)12-11-29-20-10-8-15-5-3-4-6-19(15)30-20/h3-10,13H,11-12H2,1-2H3,(H,29,30).
What are the key properties of 4-[4,4-dimethyl-2,5-dioxo-3-[2-(quinolin-2-ylamino)ethyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile?
4-[4,4-dimethyl-2,5-dioxo-3-[2-(quinolin-2-ylamino)ethyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile has a molecular weight of 467.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,4-dimethyl-2,5-dioxo-3-[2-(quinolin-2-ylamino)ethyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 175136205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).