2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C12H18F3N3O3 — CID 2569429

IUPAC2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)C[C@]1(C)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C12H18F3N3O3/c1-7(2)4-11(3)9(20)18(10(21)17-11)5-8(19)16-6-12(13,14)15/h7H,4-6H2,1-3H3,(H,16,19)(H,17,21)/t11-/m0/s1
InChIKeyRJPBJVIUALRGJV-NSHDSACASA-N
MW309.29 g/mol
LogP1.02
Rot. Bonds5

About 2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2569429) has the molecular formula C12H18F3N3O3 and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2569429
Molecular FormulaC12H18F3N3O3
Molecular Weight309.29 g/mol
Exact Mass309.13
IUPAC Name2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)C[C@]1(C)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C12H18F3N3O3/c1-7(2)4-11(3)9(20)18(10(21)17-11)5-8(19)16-6-12(13,14)15/h7H,4-6H2,1-3H3,(H,16,19)(H,17,21)/t11-/m0/s1
InChIKeyRJPBJVIUALRGJV-NSHDSACASA-N
XLogP1.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-Methylpropyl)imidazolidine-2,4-dione
CID 100892
N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
CID 4432972
N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]pentanamide
CID 2968907
N-cyclohexyl-N-methyl-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4520677
(S)-5-(Isobutyl)imidazolidine-2,4-dione
CID 700302
d-5-Isobutylhydantoin
CID 700303
N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide
CID 2980567
N-cyclohexyl-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16293462
5,5-Dimethyl-3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 24982466
N-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 51361557
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide
CID 71653718
3-Cyclopentyl-5-isopropyl-imidazolidine-2,4-dione
CID 5273848

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 2569429) is 2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)C[C@]1(C)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O.
What is the InChIKey of 2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RJPBJVIUALRGJV-NSHDSACASA-N. The full InChI is InChI=1S/C12H18F3N3O3/c1-7(2)4-11(3)9(20)18(10(21)17-11)5-8(19)16-6-12(13,14)15/h7H,4-6H2,1-3H3,(H,16,19)(H,17,21)/t11-/m0/s1.
What are the key properties of 2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 309.29 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2569429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).