1-(4-ethylcyclohexyl)imidazolidine-2,4,5-trione

C11H16N2O3 — CID 61469917

IUPAC1-(4-ethylcyclohexyl)imidazolidine-2,4,5-trione
SMILESCCC1CCC(N2C(=O)NC(=O)C2=O)CC1
InChIInChI=1S/C11H16N2O3/c1-2-7-3-5-8(6-4-7)13-10(15)9(14)12-11(13)16/h7-8H,2-6H2,1H3,(H,12,14,16)
InChIKeyBFAVYIRHXWPQOV-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.03
Rot. Bonds2

About 1-(4-ethylcyclohexyl)imidazolidine-2,4,5-trione

1-(4-ethylcyclohexyl)imidazolidine-2,4,5-trione (PubChem CID 61469917) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)imidazolidine-2,4,5-trione
PubChem CID61469917
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-(4-ethylcyclohexyl)imidazolidine-2,4,5-trione
SMILESCCC1CCC(N2C(=O)NC(=O)C2=O)CC1
InChIInChI=1S/C11H16N2O3/c1-2-7-3-5-8(6-4-7)13-10(15)9(14)12-11(13)16/h7-8H,2-6H2,1H3,(H,12,14,16)
InChIKeyBFAVYIRHXWPQOV-UHFFFAOYSA-N
XLogP1.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.03
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-ethylcyclohexyl)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

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(4-ethylcyclohexyl)imidazolidine-2,4,5-trione (CID 61469917) is 1-(4-ethylcyclohexyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(4-ethylcyclohexyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(4-ethylcyclohexyl)imidazolidine-2,4,5-trione is CCC1CCC(N2C(=O)NC(=O)C2=O)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)imidazolidine-2,4,5-trione?
The InChIKey is BFAVYIRHXWPQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-7-3-5-8(6-4-7)13-10(15)9(14)12-11(13)16/h7-8H,2-6H2,1H3,(H,12,14,16).
What are the key properties of 1-(4-ethylcyclohexyl)imidazolidine-2,4,5-trione?
1-(4-ethylcyclohexyl)imidazolidine-2,4,5-trione has a molecular weight of 224.26 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 61469917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).