1-[(4-ethylphenyl)methyl]imidazolidine-2,4,5-trione

C12H12N2O3 — CID 106900584

IUPAC1-[(4-ethylphenyl)methyl]imidazolidine-2,4,5-trione
SMILESCCc1ccc(CN2C(=O)NC(=O)C2=O)cc1
InChIInChI=1S/C12H12N2O3/c1-2-8-3-5-9(6-4-8)7-14-11(16)10(15)13-12(14)17/h3-6H,2,7H2,1H3,(H,13,15,17)
InChIKeyHFTRQDQSIVMYEG-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.83
Rot. Bonds3

About 1-[(4-ethylphenyl)methyl]imidazolidine-2,4,5-trione

1-[(4-ethylphenyl)methyl]imidazolidine-2,4,5-trione (PubChem CID 106900584) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]imidazolidine-2,4,5-trione
PubChem CID106900584
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-[(4-ethylphenyl)methyl]imidazolidine-2,4,5-trione
SMILESCCc1ccc(CN2C(=O)NC(=O)C2=O)cc1
InChIInChI=1S/C12H12N2O3/c1-2-8-3-5-9(6-4-8)7-14-11(16)10(15)13-12(14)17/h3-6H,2,7H2,1H3,(H,13,15,17)
InChIKeyHFTRQDQSIVMYEG-UHFFFAOYSA-N
XLogP0.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.83
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-[(4-ethylphenyl)methyl]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-[(4-ethylphenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 106901068
1-[(3,4-difluorophenyl)methyl]imidazolidine-2,4,5-trione
CID 54965624
1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione
CID 61410415
1-[(4-ethylphenyl)methyl]piperidine-2,6-dione
CID 82128665
2-amino-3-[(4-ethylphenyl)methyl]-5,5-dimethylimidazol-4-one
CID 145459681
1-[(4-fluorophenyl)methyl]-5-[(5-methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2870608
3-ethyl-1-[(4-ethylphenyl)methyl]piperazine-2,6-dione
CID 66068230
5-(anthracen-9-ylmethylidene)-1-[(4-fluorophenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 3726481
(5Z)-1-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 873297
1,4-diethylbenzene;oxoalumane
CID 174317758
5-(anthracen-9-ylmethylidene)-1-benzyl-1,3-diazinane-2,4,6-trione
CID 1375979
1,4-diethylbenzene;ethane
CID 91207141

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[(4-ethylphenyl)methyl]imidazolidine-2,4,5-trione (CID 106900584) is 1-[(4-ethylphenyl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]imidazolidine-2,4,5-trione is CCc1ccc(CN2C(=O)NC(=O)C2=O)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is HFTRQDQSIVMYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-8-3-5-9(6-4-8)7-14-11(16)10(15)13-12(14)17/h3-6H,2,7H2,1H3,(H,13,15,17).
What are the key properties of 1-[(4-ethylphenyl)methyl]imidazolidine-2,4,5-trione?
1-[(4-ethylphenyl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 232.24 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 106900584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).