5-(5-fluoro-2-methoxyphenyl)-5-methylimidazolidine-2,4-dione

C11H11FN2O3 — CID 82129747

IUPAC5-(5-fluoro-2-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(F)cc1C1(C)NC(=O)NC1=O
InChIInChI=1S/C11H11FN2O3/c1-11(9(15)13-10(16)14-11)7-5-6(12)3-4-8(7)17-2/h3-5H,1-2H3,(H2,13,14,15,16)
InChIKeyNUWVIFQQKNQATJ-UHFFFAOYSA-N
MW238.22 g/mol
LogP0.89
Rot. Bonds2

About 5-(5-fluoro-2-methoxyphenyl)-5-methylimidazolidine-2,4-dione

5-(5-fluoro-2-methoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 82129747) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 5-(5-fluoro-2-methoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(5-fluoro-2-methoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID82129747
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name5-(5-fluoro-2-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(F)cc1C1(C)NC(=O)NC1=O
InChIInChI=1S/C11H11FN2O3/c1-11(9(15)13-10(16)14-11)7-5-6(12)3-4-8(7)17-2/h3-5H,1-2H3,(H2,13,14,15,16)
InChIKeyNUWVIFQQKNQATJ-UHFFFAOYSA-N
XLogP0.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 82129747) is 5-(5-fluoro-2-methoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(5-fluoro-2-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(5-fluoro-2-methoxyphenyl)-5-methylimidazolidine-2,4-dione is COc1ccc(F)cc1C1(C)NC(=O)NC1=O.
What is the InChIKey of 5-(5-fluoro-2-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is NUWVIFQQKNQATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-11(9(15)13-10(16)14-11)7-5-6(12)3-4-8(7)17-2/h3-5H,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-(5-fluoro-2-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
5-(5-fluoro-2-methoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 238.22 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 82129747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).