3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one

C13H17FN2O2 — CID 83237103

IUPAC3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one
SMILESCCOCCN1C(=O)CNC1c1cccc(F)c1
InChIInChI=1S/C13H17FN2O2/c1-2-18-7-6-16-12(17)9-15-13(16)10-4-3-5-11(14)8-10/h3-5,8,13,15H,2,6-7,9H2,1H3
InChIKeyVAMZHKPREVIBBU-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.29
Rot. Bonds5

About 3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one

3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one (PubChem CID 83237103) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one
PubChem CID83237103
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one
SMILESCCOCCN1C(=O)CNC1c1cccc(F)c1
InChIInChI=1S/C13H17FN2O2/c1-2-18-7-6-16-12(17)9-15-13(16)10-4-3-5-11(14)8-10/h3-5,8,13,15H,2,6-7,9H2,1H3
InChIKeyVAMZHKPREVIBBU-UHFFFAOYSA-N
XLogP1.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.29
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

2-(3-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83256699
6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237493
3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83238354
3-(2-ethoxyethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83233386
3-(2-ethoxyethyl)-2-(4-propoxyphenyl)imidazolidin-4-one
CID 83232922
2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
CID 83264982
2-(3-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one
CID 83262999
2-(3-fluorophenyl)-3-[(4-methylmorpholin-2-yl)methyl]imidazolidin-4-one
CID 83269076
2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one
CID 83260276
3-butyl-2-(2,4-difluorophenyl)imidazolidin-4-one
CID 83238048
3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83238001
3-[(1,1-dioxothiolan-2-yl)methyl]-2-(3-fluorophenyl)imidazolidin-4-one
CID 83266741

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one?
The IUPAC name of 3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one (CID 83237103) is 3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one?
The canonical SMILES for 3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one is CCOCCN1C(=O)CNC1c1cccc(F)c1.
What is the InChIKey of 3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one?
The InChIKey is VAMZHKPREVIBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-2-18-7-6-16-12(17)9-15-13(16)10-4-3-5-11(14)8-10/h3-5,8,13,15H,2,6-7,9H2,1H3.
What are the key properties of 3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one?
3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one has a molecular weight of 252.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one is sourced from PubChem (CID 83237103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).