5-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]-5-methylimidazolidine-2,4-dione

C18H16I2N2O4 — CID 134990734

IUPAC5-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(Oc2c(I)cc(CC3(C)NC(=O)NC3=O)cc2I)cc1
InChIInChI=1S/C18H16I2N2O4/c1-18(16(23)21-17(24)22-18)9-10-7-13(19)15(14(20)8-10)26-12-5-3-11(25-2)4-6-12/h3-8H,9H2,1-2H3,(H2,21,22,23,24)
InChIKeyCSZFXUBPXAHQON-UHFFFAOYSA-N
MW578.14 g/mol
LogP3.84
Rot. Bonds5

About 5-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]-5-methylimidazolidine-2,4-dione

5-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 134990734) has the molecular formula C18H16I2N2O4 and a molecular weight of 578.14 g/mol. Its IUPAC name is 5-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID134990734
Molecular FormulaC18H16I2N2O4
Molecular Weight578.14 g/mol
Exact Mass577.92
IUPAC Name5-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(Oc2c(I)cc(CC3(C)NC(=O)NC3=O)cc2I)cc1
InChIInChI=1S/C18H16I2N2O4/c1-18(16(23)21-17(24)22-18)9-10-7-13(19)15(14(20)8-10)26-12-5-3-11(25-2)4-6-12/h3-8H,9H2,1-2H3,(H2,21,22,23,24)
InChIKeyCSZFXUBPXAHQON-UHFFFAOYSA-N
XLogP3.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.14
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]-5-methylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]-5-methylimidazolidine-2,4-dione (CID 134990734) is 5-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]-5-methylimidazolidine-2,4-dione is COc1ccc(Oc2c(I)cc(CC3(C)NC(=O)NC3=O)cc2I)cc1.
What is the InChIKey of 5-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is CSZFXUBPXAHQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16I2N2O4/c1-18(16(23)21-17(24)22-18)9-10-7-13(19)15(14(20)8-10)26-12-5-3-11(25-2)4-6-12/h3-8H,9H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 5-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]-5-methylimidazolidine-2,4-dione?
5-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 578.14 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 134990734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).