3-ethyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one

C15H21FN2O2 — CID 83238687

IUPAC3-ethyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one
SMILESCCN1C(=O)C(C(C)C)NC1c1ccc(OC)c(F)c1
InChIInChI=1S/C15H21FN2O2/c1-5-18-14(17-13(9(2)3)15(18)19)10-6-7-12(20-4)11(16)8-10/h6-9,13-14,17H,5H2,1-4H3
InChIKeyMWDRQZBCNRCIEA-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.31
Rot. Bonds4

About 3-ethyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one

3-ethyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one (PubChem CID 83238687) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-ethyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one
PubChem CID83238687
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name3-ethyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one
SMILESCCN1C(=O)C(C(C)C)NC1c1ccc(OC)c(F)c1
InChIInChI=1S/C15H21FN2O2/c1-5-18-14(17-13(9(2)3)15(18)19)10-6-7-12(20-4)11(16)8-10/h6-9,13-14,17H,5H2,1-4H3
InChIKeyMWDRQZBCNRCIEA-UHFFFAOYSA-N
XLogP2.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-3-ethyl-2-(3-fluoro-4-methoxyphenyl)imidazolidin-4-one
CID 83239869
3-ethyl-2-(3-fluoro-4-methoxyphenyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83239274
3-cyclopropyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83244666
2-(2,4-difluorophenyl)-3-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83239865
2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 115282292
2-(3-fluoro-4-methoxyphenyl)-3-(3-methoxypropyl)-5-methylimidazolidin-4-one
CID 83246247
3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazolidin-4-one
CID 83232224
2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one
CID 83242425
5-(3-fluoro-4-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83243214
2-(3-fluorophenyl)-3-(2-methoxyethyl)-5-propan-2-ylimidazolidin-4-one
CID 83242956
3-(1-cyclopropylethyl)-2-(3-fluoro-4-methoxyphenyl)-5-methylimidazolidin-4-one
CID 83248555
6-butyl-5-(3-fluoro-4-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237728

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-ethyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one (CID 83238687) is 3-ethyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-ethyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-ethyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one is CCN1C(=O)C(C(C)C)NC1c1ccc(OC)c(F)c1.
What is the InChIKey of 3-ethyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one?
The InChIKey is MWDRQZBCNRCIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-5-18-14(17-13(9(2)3)15(18)19)10-6-7-12(20-4)11(16)8-10/h6-9,13-14,17H,5H2,1-4H3.
What are the key properties of 3-ethyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one?
3-ethyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one has a molecular weight of 280.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83238687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).