3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazolidin-4-one

C16H23FN2O2 — CID 83232224

IUPAC3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazolidin-4-one
SMILESCCOCCN1C(=O)C(C(C)C)NC1c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c1-4-21-10-9-19-15(12-5-7-13(17)8-6-12)18-14(11(2)3)16(19)20/h5-8,11,14-15,18H,4,9-10H2,1-3H3
InChIKeyLHZVNTUDMUUXAE-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.32
Rot. Bonds6

About 3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazolidin-4-one

3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazolidin-4-one (PubChem CID 83232224) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazolidin-4-one
PubChem CID83232224
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazolidin-4-one
SMILESCCOCCN1C(=O)C(C(C)C)NC1c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c1-4-21-10-9-19-15(12-5-7-13(17)8-6-12)18-14(11(2)3)16(19)20/h5-8,11,14-15,18H,4,9-10H2,1-3H3
InChIKeyLHZVNTUDMUUXAE-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propylimidazolidin-4-one
CID 83233071
2-(4-chlorophenyl)-3-(2-methoxyethyl)-5-propan-2-ylimidazolidin-4-one
CID 83242547
2-(3-fluorophenyl)-3-(2-methoxyethyl)-5-propan-2-ylimidazolidin-4-one
CID 83242956
3-(2-ethoxyethyl)-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83236973
2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one
CID 83236742
3-(3-methoxypropyl)-2-(4-methylphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83246477
2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one
CID 83242425
3-(2-ethoxyethyl)-5-methyl-2-phenylimidazolidin-4-one
CID 83237246
3-ethyl-2-(4-methylsulfanylphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83239609
2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one
CID 115282121
2-(2,4-difluorophenyl)-3-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83239865
3-ethyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83238687

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazolidin-4-one (CID 83232224) is 3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazolidin-4-one is CCOCCN1C(=O)C(C(C)C)NC1c1ccc(F)cc1.
What is the InChIKey of 3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazolidin-4-one?
The InChIKey is LHZVNTUDMUUXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-4-21-10-9-19-15(12-5-7-13(17)8-6-12)18-14(11(2)3)16(19)20/h5-8,11,14-15,18H,4,9-10H2,1-3H3.
What are the key properties of 3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazolidin-4-one?
3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazolidin-4-one has a molecular weight of 294.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83232224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).