3-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-5,5-diethylimidazolidine-2,4-dione

C15H18F2N2O3 — CID 47053134

IUPAC3-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(O)c2cc(F)ccc2F)C1=O
InChIInChI=1S/C15H18F2N2O3/c1-3-15(4-2)13(21)19(14(22)18-15)8-12(20)10-7-9(16)5-6-11(10)17/h5-7,12,20H,3-4,8H2,1-2H3,(H,18,22)
InChIKeyGPCNDMFPTFLTKW-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.11
Rot. Bonds5

About 3-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-5,5-diethylimidazolidine-2,4-dione

3-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-5,5-diethylimidazolidine-2,4-dione (PubChem CID 47053134) has the molecular formula C15H18F2N2O3 and a molecular weight of 312.32 g/mol. Its IUPAC name is 3-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-5,5-diethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-5,5-diethylimidazolidine-2,4-dione
PubChem CID47053134
Molecular FormulaC15H18F2N2O3
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Name3-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(O)c2cc(F)ccc2F)C1=O
InChIInChI=1S/C15H18F2N2O3/c1-3-15(4-2)13(21)19(14(22)18-15)8-12(20)10-7-9(16)5-6-11(10)17/h5-7,12,20H,3-4,8H2,1-2H3,(H,18,22)
InChIKeyGPCNDMFPTFLTKW-UHFFFAOYSA-N
XLogP2.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.11
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 3-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-5,5-diethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-5,5-diethylimidazolidine-2,4-dione (CID 47053134) is 3-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-5,5-diethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-5,5-diethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-5,5-diethylimidazolidine-2,4-dione is CCC1(CC)NC(=O)N(CC(O)c2cc(F)ccc2F)C1=O.
What is the InChIKey of 3-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-5,5-diethylimidazolidine-2,4-dione?
The InChIKey is GPCNDMFPTFLTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O3/c1-3-15(4-2)13(21)19(14(22)18-15)8-12(20)10-7-9(16)5-6-11(10)17/h5-7,12,20H,3-4,8H2,1-2H3,(H,18,22).
What are the key properties of 3-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-5,5-diethylimidazolidine-2,4-dione?
3-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-5,5-diethylimidazolidine-2,4-dione has a molecular weight of 312.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-5,5-diethylimidazolidine-2,4-dione is sourced from PubChem (CID 47053134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).