1-(3-methylbutyl)imidazolidine-2,4,5-trione

C8H12N2O3 — CID 43131896

IUPAC1-(3-methylbutyl)imidazolidine-2,4,5-trione
SMILESCC(C)CCN1C(=O)NC(=O)C1=O
InChIInChI=1S/C8H12N2O3/c1-5(2)3-4-10-7(12)6(11)9-8(10)13/h5H,3-4H2,1-2H3,(H,9,11,13)
InChIKeyDQFNWNZRDWMTCK-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.11
Rot. Bonds3

About 1-(3-methylbutyl)imidazolidine-2,4,5-trione

1-(3-methylbutyl)imidazolidine-2,4,5-trione (PubChem CID 43131896) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-(3-methylbutyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(3-methylbutyl)imidazolidine-2,4,5-trione
PubChem CID43131896
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-(3-methylbutyl)imidazolidine-2,4,5-trione
SMILESCC(C)CCN1C(=O)NC(=O)C1=O
InChIInChI=1S/C8H12N2O3/c1-5(2)3-4-10-7(12)6(11)9-8(10)13/h5H,3-4H2,1-2H3,(H,9,11,13)
InChIKeyDQFNWNZRDWMTCK-UHFFFAOYSA-N
XLogP0.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-methylbutyl)imidazolidine-2,4,5-trione 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

1-Propylimidazolidine-2,4,5-trione
CID 181667
3-Ethyl-5,5-dimethylimidazolidine-2,4-dione
CID 588189
3-Butylimidazolidine-2,4-dione
CID 568235
Hydantoin, 3-(3-(dimethylamino)propyl)-, hydrochloride
CID 3070463
1-Butylimidazolidine-2,4-dione
CID 118506
1-(2-Methylpropyl)imidazolidine-2,4,5-trione
CID 2398144
3-(2-(Diethylamino)ethyl)-5,5-dimethylhydantoin
CID 3028666
3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide
CID 45105963
3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide
CID 71868037
1-Propylimidazolidine-2,4-dione
CID 3020624
3-Methyl-5-isopropylhydantoin
CID 53425842
3-Butyl-5-methylimidazolidine-2,4-dione
CID 335477

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(3-methylbutyl)imidazolidine-2,4,5-trione (CID 43131896) is 1-(3-methylbutyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(3-methylbutyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(3-methylbutyl)imidazolidine-2,4,5-trione is CC(C)CCN1C(=O)NC(=O)C1=O.
What is the InChIKey of 1-(3-methylbutyl)imidazolidine-2,4,5-trione?
The InChIKey is DQFNWNZRDWMTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5(2)3-4-10-7(12)6(11)9-8(10)13/h5H,3-4H2,1-2H3,(H,9,11,13).
What are the key properties of 1-(3-methylbutyl)imidazolidine-2,4,5-trione?
1-(3-methylbutyl)imidazolidine-2,4,5-trione has a molecular weight of 184.19 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 43131896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).