2-(3-fluoro-4-methoxyphenyl)-3-pentan-3-ylimidazolidin-4-one

C15H21FN2O2 — CID 83242836

IUPAC2-(3-fluoro-4-methoxyphenyl)-3-pentan-3-ylimidazolidin-4-one
SMILESCCC(CC)N1C(=O)CNC1c1ccc(OC)c(F)c1
InChIInChI=1S/C15H21FN2O2/c1-4-11(5-2)18-14(19)9-17-15(18)10-6-7-13(20-3)12(16)8-10/h6-8,11,15,17H,4-5,9H2,1-3H3
InChIKeyUSOURFGENYJQHF-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.45
Rot. Bonds5

About 2-(3-fluoro-4-methoxyphenyl)-3-pentan-3-ylimidazolidin-4-one

2-(3-fluoro-4-methoxyphenyl)-3-pentan-3-ylimidazolidin-4-one (PubChem CID 83242836) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-3-pentan-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-3-pentan-3-ylimidazolidin-4-one
PubChem CID83242836
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-3-pentan-3-ylimidazolidin-4-one
SMILESCCC(CC)N1C(=O)CNC1c1ccc(OC)c(F)c1
InChIInChI=1S/C15H21FN2O2/c1-4-11(5-2)18-14(19)9-17-15(18)10-6-7-13(20-3)12(16)8-10/h6-8,11,15,17H,4-5,9H2,1-3H3
InChIKeyUSOURFGENYJQHF-UHFFFAOYSA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-3-pentan-3-ylimidazolidin-4-one?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-3-pentan-3-ylimidazolidin-4-one (CID 83242836) is 2-(3-fluoro-4-methoxyphenyl)-3-pentan-3-ylimidazolidin-4-one.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-3-pentan-3-ylimidazolidin-4-one?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-3-pentan-3-ylimidazolidin-4-one is CCC(CC)N1C(=O)CNC1c1ccc(OC)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-3-pentan-3-ylimidazolidin-4-one?
The InChIKey is USOURFGENYJQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-4-11(5-2)18-14(19)9-17-15(18)10-6-7-13(20-3)12(16)8-10/h6-8,11,15,17H,4-5,9H2,1-3H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-3-pentan-3-ylimidazolidin-4-one?
2-(3-fluoro-4-methoxyphenyl)-3-pentan-3-ylimidazolidin-4-one has a molecular weight of 280.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-3-pentan-3-ylimidazolidin-4-one is sourced from PubChem (CID 83242836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).