3-(2-ethoxyethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one

C16H23FN2O2 — CID 83233386

IUPAC3-(2-ethoxyethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
SMILESCCOCCN1C(=O)C(C)(CC)NC1c1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-4-16(3)15(20)19(9-10-21-5-2)14(18-16)12-7-6-8-13(17)11-12/h6-8,11,14,18H,4-5,9-10H2,1-3H3
InChIKeyXCBBHVXBYKXCQU-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.46
Rot. Bonds6

About 3-(2-ethoxyethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one

3-(2-ethoxyethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one (PubChem CID 83233386) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
PubChem CID83233386
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name3-(2-ethoxyethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
SMILESCCOCCN1C(=O)C(C)(CC)NC1c1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-4-16(3)15(20)19(9-10-21-5-2)14(18-16)12-7-6-8-13(17)11-12/h6-8,11,14,18H,4-5,9-10H2,1-3H3
InChIKeyXCBBHVXBYKXCQU-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
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

6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237493
2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-ethyl-5-methylimidazolidin-4-one
CID 83232560
3-(3-ethoxypropyl)-5-ethyl-5-methyl-2-phenylimidazolidin-4-one
CID 83233708
3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one
CID 83237103
5-ethyl-3-(2-methoxyethyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83242632
5-(3-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83250897
5-(3-chlorophenyl)-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237717
3-cyclobutyl-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83254488
5-ethyl-2-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83263533
2-(2,4-difluorophenyl)-5-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83263534
3-(1-cyclopropylethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83244740
3,5-diethyl-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83238688

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
The IUPAC name of 3-(2-ethoxyethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one (CID 83233386) is 3-(2-ethoxyethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-(2-ethoxyethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 3-(2-ethoxyethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one is CCOCCN1C(=O)C(C)(CC)NC1c1cccc(F)c1.
What is the InChIKey of 3-(2-ethoxyethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
The InChIKey is XCBBHVXBYKXCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-4-16(3)15(20)19(9-10-21-5-2)14(18-16)12-7-6-8-13(17)11-12/h6-8,11,14,18H,4-5,9-10H2,1-3H3.
What are the key properties of 3-(2-ethoxyethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
3-(2-ethoxyethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one has a molecular weight of 294.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83233386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).