3-[2-(4-chloro-3-ethylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione

C15H19ClN2O3 — CID 973231

IUPAC3-[2-(4-chloro-3-ethylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCc1cc(OCCN2C(=O)NC(C)(C)C2=O)ccc1Cl
InChIInChI=1S/C15H19ClN2O3/c1-4-10-9-11(5-6-12(10)16)21-8-7-18-13(19)15(2,3)17-14(18)20/h5-6,9H,4,7-8H2,1-3H3,(H,17,20)
InChIKeyMJOUDEUGLWNRIG-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.61
Rot. Bonds5

About 3-[2-(4-chloro-3-ethylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-(4-chloro-3-ethylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 973231) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 3-[2-(4-chloro-3-ethylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-chloro-3-ethylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID973231
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name3-[2-(4-chloro-3-ethylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCc1cc(OCCN2C(=O)NC(C)(C)C2=O)ccc1Cl
InChIInChI=1S/C15H19ClN2O3/c1-4-10-9-11(5-6-12(10)16)21-8-7-18-13(19)15(2,3)17-14(18)20/h5-6,9H,4,7-8H2,1-3H3,(H,17,20)
InChIKeyMJOUDEUGLWNRIG-UHFFFAOYSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.61
H-Bond Donors ≤ 51
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-[2-(4-chloro-3-ethylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-chloro-3-ethylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 973231) is 3-[2-(4-chloro-3-ethylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-chloro-3-ethylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-chloro-3-ethylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione is CCc1cc(OCCN2C(=O)NC(C)(C)C2=O)ccc1Cl.
What is the InChIKey of 3-[2-(4-chloro-3-ethylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is MJOUDEUGLWNRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-4-10-9-11(5-6-12(10)16)21-8-7-18-13(19)15(2,3)17-14(18)20/h5-6,9H,4,7-8H2,1-3H3,(H,17,20).
What are the key properties of 3-[2-(4-chloro-3-ethylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-(4-chloro-3-ethylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 310.78 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chloro-3-ethylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 973231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).