1-[3,5-dichloro-4-(4-hydroxy-3-phenylphenoxy)phenyl]imidazolidine-2,4-dione

C21H14Cl2N2O4 — CID 24785559

IUPAC1-[3,5-dichloro-4-(4-hydroxy-3-phenylphenoxy)phenyl]imidazolidine-2,4-dione
SMILESO=C1CN(c2cc(Cl)c(Oc3ccc(O)c(-c4ccccc4)c3)c(Cl)c2)C(=O)N1
InChIInChI=1S/C21H14Cl2N2O4/c22-16-8-13(25-11-19(27)24-21(25)28)9-17(23)20(16)29-14-6-7-18(26)15(10-14)12-4-2-1-3-5-12/h1-10,26H,11H2,(H,24,27,28)
InChIKeyTTYBLOCNIURCEL-UHFFFAOYSA-N
MW429.26 g/mol
LogP5.21
Rot. Bonds4

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

1-[3,5-dichloro-4-(4-hydroxy-3-phenylphenoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 24785559) has the molecular formula C21H14Cl2N2O4 and a molecular weight of 429.26 g/mol. Its IUPAC name is 1-[3,5-dichloro-4-(4-hydroxy-3-phenylphenoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[3,5-dichloro-4-(4-hydroxy-3-phenylphenoxy)phenyl]imidazolidine-2,4-dione
PubChem CID24785559
Molecular FormulaC21H14Cl2N2O4
Molecular Weight429.26 g/mol
Exact Mass428.03
IUPAC Name1-[3,5-dichloro-4-(4-hydroxy-3-phenylphenoxy)phenyl]imidazolidine-2,4-dione
SMILESO=C1CN(c2cc(Cl)c(Oc3ccc(O)c(-c4ccccc4)c3)c(Cl)c2)C(=O)N1
InChIInChI=1S/C21H14Cl2N2O4/c22-16-8-13(25-11-19(27)24-21(25)28)9-17(23)20(16)29-14-6-7-18(26)15(10-14)12-4-2-1-3-5-12/h1-10,26H,11H2,(H,24,27,28)
InChIKeyTTYBLOCNIURCEL-UHFFFAOYSA-N
XLogP5.21
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.26
LogP ≤ 55.21
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-(4-hydroxy-3-phenylphenoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[3,5-dichloro-4-(4-hydroxy-3-phenylphenoxy)phenyl]imidazolidine-2,4-dione (CID 24785559) is 1-[3,5-dichloro-4-(4-hydroxy-3-phenylphenoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[3,5-dichloro-4-(4-hydroxy-3-phenylphenoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[3,5-dichloro-4-(4-hydroxy-3-phenylphenoxy)phenyl]imidazolidine-2,4-dione is O=C1CN(c2cc(Cl)c(Oc3ccc(O)c(-c4ccccc4)c3)c(Cl)c2)C(=O)N1.
What is the InChIKey of 1-[3,5-dichloro-4-(4-hydroxy-3-phenylphenoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is TTYBLOCNIURCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O4/c22-16-8-13(25-11-19(27)24-21(25)28)9-17(23)20(16)29-14-6-7-18(26)15(10-14)12-4-2-1-3-5-12/h1-10,26H,11H2,(H,24,27,28).
What are the key properties of 1-[3,5-dichloro-4-(4-hydroxy-3-phenylphenoxy)phenyl]imidazolidine-2,4-dione?
1-[3,5-dichloro-4-(4-hydroxy-3-phenylphenoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 429.26 g/mol, XLogP of 5.21, 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-(4-hydroxy-3-phenylphenoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24785559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).