3-[4-(3-chlorophenoxy)phenyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

C23H19ClN2O3 — CID 138008181

IUPAC3-[4-(3-chlorophenoxy)phenyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCCC1(c2ccccc2)NC(=O)N(c2ccc(Oc3cccc(Cl)c3)cc2)C1=O
InChIInChI=1S/C23H19ClN2O3/c1-2-23(16-7-4-3-5-8-16)21(27)26(22(28)25-23)18-11-13-19(14-12-18)29-20-10-6-9-17(24)15-20/h3-15H,2H2,1H3,(H,25,28)
InChIKeyDIDXUVBSVISFGF-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.49
Rot. Bonds5

About 3-[4-(3-chlorophenoxy)phenyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

3-[4-(3-chlorophenoxy)phenyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (PubChem CID 138008181) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 3-[4-(3-chlorophenoxy)phenyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(3-chlorophenoxy)phenyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
PubChem CID138008181
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name3-[4-(3-chlorophenoxy)phenyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCCC1(c2ccccc2)NC(=O)N(c2ccc(Oc3cccc(Cl)c3)cc2)C1=O
InChIInChI=1S/C23H19ClN2O3/c1-2-23(16-7-4-3-5-8-16)21(27)26(22(28)25-23)18-11-13-19(14-12-18)29-20-10-6-9-17(24)15-20/h3-15H,2H2,1H3,(H,25,28)
InChIKeyDIDXUVBSVISFGF-UHFFFAOYSA-N
XLogP5.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.49
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-[4-(3-chlorophenoxy)phenyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[4-(3-chlorophenoxy)phenyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (CID 138008181) is 3-[4-(3-chlorophenoxy)phenyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(3-chlorophenoxy)phenyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[4-(3-chlorophenoxy)phenyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is CCC1(c2ccccc2)NC(=O)N(c2ccc(Oc3cccc(Cl)c3)cc2)C1=O.
What is the InChIKey of 3-[4-(3-chlorophenoxy)phenyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is DIDXUVBSVISFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-2-23(16-7-4-3-5-8-16)21(27)26(22(28)25-23)18-11-13-19(14-12-18)29-20-10-6-9-17(24)15-20/h3-15H,2H2,1H3,(H,25,28).
What are the key properties of 3-[4-(3-chlorophenoxy)phenyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
3-[4-(3-chlorophenoxy)phenyl]-5-ethyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 406.87 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenoxy)phenyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 138008181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).