1-[3,5-dichloro-4-(3-ethyl-4-hydroxyphenoxy)phenyl]imidazolidine-2,4-dione

C17H14Cl2N2O4 — CID 24784811

IUPAC1-[3,5-dichloro-4-(3-ethyl-4-hydroxyphenoxy)phenyl]imidazolidine-2,4-dione
SMILESCCc1cc(Oc2c(Cl)cc(N3CC(=O)NC3=O)cc2Cl)ccc1O
InChIInChI=1S/C17H14Cl2N2O4/c1-2-9-5-11(3-4-14(9)22)25-16-12(18)6-10(7-13(16)19)21-8-15(23)20-17(21)24/h3-7,22H,2,8H2,1H3,(H,20,23,24)
InChIKeyOYVADWOGJBDJRO-UHFFFAOYSA-N
MW381.22 g/mol
LogP4.11
Rot. Bonds4

About 1-[3,5-dichloro-4-(3-ethyl-4-hydroxyphenoxy)phenyl]imidazolidine-2,4-dione

1-[3,5-dichloro-4-(3-ethyl-4-hydroxyphenoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 24784811) has the molecular formula C17H14Cl2N2O4 and a molecular weight of 381.22 g/mol. Its IUPAC name is 1-[3,5-dichloro-4-(3-ethyl-4-hydroxyphenoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[3,5-dichloro-4-(3-ethyl-4-hydroxyphenoxy)phenyl]imidazolidine-2,4-dione
PubChem CID24784811
Molecular FormulaC17H14Cl2N2O4
Molecular Weight381.22 g/mol
Exact Mass380.03
IUPAC Name1-[3,5-dichloro-4-(3-ethyl-4-hydroxyphenoxy)phenyl]imidazolidine-2,4-dione
SMILESCCc1cc(Oc2c(Cl)cc(N3CC(=O)NC3=O)cc2Cl)ccc1O
InChIInChI=1S/C17H14Cl2N2O4/c1-2-9-5-11(3-4-14(9)22)25-16-12(18)6-10(7-13(16)19)21-8-15(23)20-17(21)24/h3-7,22H,2,8H2,1H3,(H,20,23,24)
InChIKeyOYVADWOGJBDJRO-UHFFFAOYSA-N
XLogP4.11
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dichloro-4-(3-ethyl-4-hydroxyphenoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[3,5-dichloro-4-(3-ethyl-4-hydroxyphenoxy)phenyl]imidazolidine-2,4-dione (CID 24784811) is 1-[3,5-dichloro-4-(3-ethyl-4-hydroxyphenoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[3,5-dichloro-4-(3-ethyl-4-hydroxyphenoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[3,5-dichloro-4-(3-ethyl-4-hydroxyphenoxy)phenyl]imidazolidine-2,4-dione is CCc1cc(Oc2c(Cl)cc(N3CC(=O)NC3=O)cc2Cl)ccc1O.
What is the InChIKey of 1-[3,5-dichloro-4-(3-ethyl-4-hydroxyphenoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is OYVADWOGJBDJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O4/c1-2-9-5-11(3-4-14(9)22)25-16-12(18)6-10(7-13(16)19)21-8-15(23)20-17(21)24/h3-7,22H,2,8H2,1H3,(H,20,23,24).
What are the key properties of 1-[3,5-dichloro-4-(3-ethyl-4-hydroxyphenoxy)phenyl]imidazolidine-2,4-dione?
1-[3,5-dichloro-4-(3-ethyl-4-hydroxyphenoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 381.22 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dichloro-4-(3-ethyl-4-hydroxyphenoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24784811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).