3-[3-[[3-(2-cyanoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile

C17H22N6O4 — CID 606528

IUPAC3-[3-[[3-(2-cyanoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile
SMILESCC1(C)C(=O)N(CCC#N)C(=O)N1CN1C(=O)N(CCC#N)C(=O)C1(C)C
InChIInChI=1S/C17H22N6O4/c1-16(2)12(24)20(9-5-7-18)14(26)22(16)11-23-15(27)21(10-6-8-19)13(25)17(23,3)4/h5-6,9-11H2,1-4H3
InChIKeyROMOSPYIUQFVDF-UHFFFAOYSA-N
MW374.40 g/mol
LogP0.86
Rot. Bonds6

About 3-[3-[[3-(2-cyanoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile

3-[3-[[3-(2-cyanoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile (PubChem CID 606528) has the molecular formula C17H22N6O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-[3-[[3-(2-cyanoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[3-[[3-(2-cyanoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile
PubChem CID606528
Molecular FormulaC17H22N6O4
Molecular Weight374.40 g/mol
Exact Mass374.17
IUPAC Name3-[3-[[3-(2-cyanoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile
SMILESCC1(C)C(=O)N(CCC#N)C(=O)N1CN1C(=O)N(CCC#N)C(=O)C1(C)C
InChIInChI=1S/C17H22N6O4/c1-16(2)12(24)20(9-5-7-18)14(26)22(16)11-23-15(27)21(10-6-8-19)13(25)17(23,3)4/h5-6,9-11H2,1-4H3
InChIKeyROMOSPYIUQFVDF-UHFFFAOYSA-N
XLogP0.86
TPSA128.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,1'-Methylenebis(5,5-dimethylimidazolidine-2,4-dione)
CID 716765
1,4-Bis(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butane
CID 598298
3-(2-Cyanoethyl)-1,4,4-trimethyl-2,5-dioxoimidazolidine
CID 593423
1,3-Bis(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidine
CID 606527
1-(Hydroxymethyl)-3-[4-[3-(hydroxymethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butyl]-5,5-dimethylimidazolidine-2,4-dione
CID 134871153
1,3-Bis(2-cyanoethyl)-4-ethyl-4-methyl-2,5-dioxoimidazolidine
CID 612980
1,3-Bis[2-(dimethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 11021967
3-(2-Aminoethyl)-1-[[3-(2-aminoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 14008502
3-[2-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 14494276
1,5,5-Trimethyl-3-[1-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 18459280
5,5-Dimethyl-1,3-bis(pyrrolidin-1-ylmethyl)imidazolidine-2,4-dione
CID 20350508
1-[4-(5,5-Dimethyl-2,4-dioxoimidazolidin-1-yl)butyl]-5,5-dimethylimidazolidine-2,4-dione
CID 20530787

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[3-(2-cyanoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile?
The IUPAC name of 3-[3-[[3-(2-cyanoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile (CID 606528) is 3-[3-[[3-(2-cyanoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[3-[[3-(2-cyanoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile?
The canonical SMILES for 3-[3-[[3-(2-cyanoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile is CC1(C)C(=O)N(CCC#N)C(=O)N1CN1C(=O)N(CCC#N)C(=O)C1(C)C.
What is the InChIKey of 3-[3-[[3-(2-cyanoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile?
The InChIKey is ROMOSPYIUQFVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O4/c1-16(2)12(24)20(9-5-7-18)14(26)22(16)11-23-15(27)21(10-6-8-19)13(25)17(23,3)4/h5-6,9-11H2,1-4H3.
What are the key properties of 3-[3-[[3-(2-cyanoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile?
3-[3-[[3-(2-cyanoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile has a molecular weight of 374.40 g/mol, XLogP of 0.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[3-(2-cyanoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile is sourced from PubChem (CID 606528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).