3-(4-amino-3,3-dimethylbutyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione

C11H18F3N3O2 — CID 65246746

IUPAC3-(4-amino-3,3-dimethylbutyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCC(C)(CN)CCN1C(=O)NC(C)(C(F)(F)F)C1=O
InChIInChI=1S/C11H18F3N3O2/c1-9(2,6-15)4-5-17-7(18)10(3,11(12,13)14)16-8(17)19/h4-6,15H2,1-3H3,(H,16,19)
InChIKeyWQDYXURVLJRLPF-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.23
Rot. Bonds4

About 3-(4-amino-3,3-dimethylbutyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione

3-(4-amino-3,3-dimethylbutyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 65246746) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-(4-amino-3,3-dimethylbutyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-amino-3,3-dimethylbutyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID65246746
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name3-(4-amino-3,3-dimethylbutyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCC(C)(CN)CCN1C(=O)NC(C)(C(F)(F)F)C1=O
InChIInChI=1S/C11H18F3N3O2/c1-9(2,6-15)4-5-17-7(18)10(3,11(12,13)14)16-8(17)19/h4-6,15H2,1-3H3,(H,16,19)
InChIKeyWQDYXURVLJRLPF-UHFFFAOYSA-N
XLogP1.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
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 3-(4-amino-3,3-dimethylbutyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(4-amino-3,3-dimethylbutyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 65246746) is 3-(4-amino-3,3-dimethylbutyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-amino-3,3-dimethylbutyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(4-amino-3,3-dimethylbutyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is CC(C)(CN)CCN1C(=O)NC(C)(C(F)(F)F)C1=O.
What is the InChIKey of 3-(4-amino-3,3-dimethylbutyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is WQDYXURVLJRLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-9(2,6-15)4-5-17-7(18)10(3,11(12,13)14)16-8(17)19/h4-6,15H2,1-3H3,(H,16,19).
What are the key properties of 3-(4-amino-3,3-dimethylbutyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
3-(4-amino-3,3-dimethylbutyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 281.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3,3-dimethylbutyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 65246746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).