3-[3,5-dichloro-4-[3-[(3-chlorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione

C22H15Cl3N2O5 — CID 69405881

IUPAC3-[3,5-dichloro-4-[3-[(3-chlorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1c1cc(Cl)c(Oc2ccc(O)c(C(O)c3cccc(Cl)c3)c2)c(Cl)c1
InChIInChI=1S/C22H15Cl3N2O5/c23-12-3-1-2-11(6-12)20(30)15-9-14(4-5-18(15)28)32-21-16(24)7-13(8-17(21)25)27-19(29)10-26-22(27)31/h1-9,20,28,30H,10H2,(H,26,31)
InChIKeyLVONJVLOVWCUIO-UHFFFAOYSA-N
MW493.73 g/mol
LogP5.28
Rot. Bonds5

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

3-[3,5-dichloro-4-[3-[(3-chlorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione (PubChem CID 69405881) has the molecular formula C22H15Cl3N2O5 and a molecular weight of 493.73 g/mol. Its IUPAC name is 3-[3,5-dichloro-4-[3-[(3-chlorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3,5-dichloro-4-[3-[(3-chlorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione
PubChem CID69405881
Molecular FormulaC22H15Cl3N2O5
Molecular Weight493.73 g/mol
Exact Mass492.00
IUPAC Name3-[3,5-dichloro-4-[3-[(3-chlorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1c1cc(Cl)c(Oc2ccc(O)c(C(O)c3cccc(Cl)c3)c2)c(Cl)c1
InChIInChI=1S/C22H15Cl3N2O5/c23-12-3-1-2-11(6-12)20(30)15-9-14(4-5-18(15)28)32-21-16(24)7-13(8-17(21)25)27-19(29)10-26-22(27)31/h1-9,20,28,30H,10H2,(H,26,31)
InChIKeyLVONJVLOVWCUIO-UHFFFAOYSA-N
XLogP5.28
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.73
LogP ≤ 55.28
H-Bond Donors ≤ 53
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 3-[3,5-dichloro-4-[3-[(3-chlorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3,5-dichloro-4-[3-[(3-chlorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione (CID 69405881) is 3-[3,5-dichloro-4-[3-[(3-chlorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3,5-dichloro-4-[3-[(3-chlorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3,5-dichloro-4-[3-[(3-chlorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1c1cc(Cl)c(Oc2ccc(O)c(C(O)c3cccc(Cl)c3)c2)c(Cl)c1.
What is the InChIKey of 3-[3,5-dichloro-4-[3-[(3-chlorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione?
The InChIKey is LVONJVLOVWCUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl3N2O5/c23-12-3-1-2-11(6-12)20(30)15-9-14(4-5-18(15)28)32-21-16(24)7-13(8-17(21)25)27-19(29)10-26-22(27)31/h1-9,20,28,30H,10H2,(H,26,31).
What are the key properties of 3-[3,5-dichloro-4-[3-[(3-chlorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione?
3-[3,5-dichloro-4-[3-[(3-chlorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione has a molecular weight of 493.73 g/mol, XLogP of 5.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dichloro-4-[3-[(3-chlorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 69405881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).