2,2-dimethyl-5-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanenitrile

C12H16F3N3O2 — CID 65257539

IUPAC2,2-dimethyl-5-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanenitrile
SMILESCC(C)(C#N)CCCN1C(=O)NC(C)(C(F)(F)F)C1=O
InChIInChI=1S/C12H16F3N3O2/c1-10(2,7-16)5-4-6-18-8(19)11(3,12(13,14)15)17-9(18)20/h4-6H2,1-3H3,(H,17,20)
InChIKeyNDNZTHNDAWKEEW-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.19
Rot. Bonds4

About 2,2-dimethyl-5-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanenitrile

2,2-dimethyl-5-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanenitrile (PubChem CID 65257539) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2,2-dimethyl-5-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanenitrile
PubChem CID65257539
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name2,2-dimethyl-5-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanenitrile
SMILESCC(C)(C#N)CCCN1C(=O)NC(C)(C(F)(F)F)C1=O
InChIInChI=1S/C12H16F3N3O2/c1-10(2,7-16)5-4-6-18-8(19)11(3,12(13,14)15)17-9(18)20/h4-6H2,1-3H3,(H,17,20)
InChIKeyNDNZTHNDAWKEEW-UHFFFAOYSA-N
XLogP2.19
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanenitrile (CID 65257539) is 2,2-dimethyl-5-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanenitrile is CC(C)(C#N)CCCN1C(=O)NC(C)(C(F)(F)F)C1=O.
What is the InChIKey of 2,2-dimethyl-5-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanenitrile?
The InChIKey is NDNZTHNDAWKEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-10(2,7-16)5-4-6-18-8(19)11(3,12(13,14)15)17-9(18)20/h4-6H2,1-3H3,(H,17,20).
What are the key properties of 2,2-dimethyl-5-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanenitrile?
2,2-dimethyl-5-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanenitrile has a molecular weight of 291.27 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanenitrile is sourced from PubChem (CID 65257539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).