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

C22H13Cl3N2O5 — CID 24785048

IUPAC1-[3,5-dichloro-4-[3-(4-chlorobenzoyl)-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione
SMILESO=C1CN(c2cc(Cl)c(Oc3ccc(O)c(C(=O)c4ccc(Cl)cc4)c3)c(Cl)c2)C(=O)N1
InChIInChI=1S/C22H13Cl3N2O5/c23-12-3-1-11(2-4-12)20(30)15-9-14(5-6-18(15)28)32-21-16(24)7-13(8-17(21)25)27-10-19(29)26-22(27)31/h1-9,28H,10H2,(H,26,29,31)
InChIKeyVOIFATOOVLGEBJ-UHFFFAOYSA-N
MW491.71 g/mol
LogP5.43
Rot. Bonds5

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

1-[3,5-dichloro-4-[3-(4-chlorobenzoyl)-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione (PubChem CID 24785048) has the molecular formula C22H13Cl3N2O5 and a molecular weight of 491.71 g/mol. Its IUPAC name is 1-[3,5-dichloro-4-[3-(4-chlorobenzoyl)-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[3,5-dichloro-4-[3-(4-chlorobenzoyl)-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione
PubChem CID24785048
Molecular FormulaC22H13Cl3N2O5
Molecular Weight491.71 g/mol
Exact Mass489.99
IUPAC Name1-[3,5-dichloro-4-[3-(4-chlorobenzoyl)-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione
SMILESO=C1CN(c2cc(Cl)c(Oc3ccc(O)c(C(=O)c4ccc(Cl)cc4)c3)c(Cl)c2)C(=O)N1
InChIInChI=1S/C22H13Cl3N2O5/c23-12-3-1-11(2-4-12)20(30)15-9-14(5-6-18(15)28)32-21-16(24)7-13(8-17(21)25)27-10-19(29)26-22(27)31/h1-9,28H,10H2,(H,26,29,31)
InChIKeyVOIFATOOVLGEBJ-UHFFFAOYSA-N
XLogP5.43
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.71
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-chlorobenzoyl)-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[3,5-dichloro-4-[3-(4-chlorobenzoyl)-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione (CID 24785048) is 1-[3,5-dichloro-4-[3-(4-chlorobenzoyl)-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[3,5-dichloro-4-[3-(4-chlorobenzoyl)-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[3,5-dichloro-4-[3-(4-chlorobenzoyl)-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione is O=C1CN(c2cc(Cl)c(Oc3ccc(O)c(C(=O)c4ccc(Cl)cc4)c3)c(Cl)c2)C(=O)N1.
What is the InChIKey of 1-[3,5-dichloro-4-[3-(4-chlorobenzoyl)-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione?
The InChIKey is VOIFATOOVLGEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl3N2O5/c23-12-3-1-11(2-4-12)20(30)15-9-14(5-6-18(15)28)32-21-16(24)7-13(8-17(21)25)27-10-19(29)26-22(27)31/h1-9,28H,10H2,(H,26,29,31).
What are the key properties of 1-[3,5-dichloro-4-[3-(4-chlorobenzoyl)-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione?
1-[3,5-dichloro-4-[3-(4-chlorobenzoyl)-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione has a molecular weight of 491.71 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dichloro-4-[3-(4-chlorobenzoyl)-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24785048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).