5,5-diethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]imidazolidine-2,4-dione

C17H23FN2O4 — CID 18086997

IUPAC5,5-diethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(O)COCc2ccccc2F)C1=O
InChIInChI=1S/C17H23FN2O4/c1-3-17(4-2)15(22)20(16(23)19-17)9-13(21)11-24-10-12-7-5-6-8-14(12)18/h5-8,13,21H,3-4,9-11H2,1-2H3,(H,19,23)
InChIKeyBZBSYXIOBWOYOC-UHFFFAOYSA-N
MW338.38 g/mol
LogP1.81
Rot. Bonds8

About 5,5-diethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]imidazolidine-2,4-dione

5,5-diethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]imidazolidine-2,4-dione (PubChem CID 18086997) has the molecular formula C17H23FN2O4 and a molecular weight of 338.38 g/mol. Its IUPAC name is 5,5-diethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]imidazolidine-2,4-dione
PubChem CID18086997
Molecular FormulaC17H23FN2O4
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name5,5-diethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(O)COCc2ccccc2F)C1=O
InChIInChI=1S/C17H23FN2O4/c1-3-17(4-2)15(22)20(16(23)19-17)9-13(21)11-24-10-12-7-5-6-8-14(12)18/h5-8,13,21H,3-4,9-11H2,1-2H3,(H,19,23)
InChIKeyBZBSYXIOBWOYOC-UHFFFAOYSA-N
XLogP1.81
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.81
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 5,5-diethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]imidazolidine-2,4-dione (CID 18086997) is 5,5-diethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]imidazolidine-2,4-dione is CCC1(CC)NC(=O)N(CC(O)COCc2ccccc2F)C1=O.
What is the InChIKey of 5,5-diethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]imidazolidine-2,4-dione?
The InChIKey is BZBSYXIOBWOYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4/c1-3-17(4-2)15(22)20(16(23)19-17)9-13(21)11-24-10-12-7-5-6-8-14(12)18/h5-8,13,21H,3-4,9-11H2,1-2H3,(H,19,23).
What are the key properties of 5,5-diethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]imidazolidine-2,4-dione?
5,5-diethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]imidazolidine-2,4-dione has a molecular weight of 338.38 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 18086997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).