5-butan-2-yl-3-ethyl-2-(3-fluoro-4-methoxyphenyl)imidazolidin-4-one

C16H23FN2O2 — CID 83239869

IUPAC5-butan-2-yl-3-ethyl-2-(3-fluoro-4-methoxyphenyl)imidazolidin-4-one
SMILESCCC(C)C1NC(c2ccc(OC)c(F)c2)N(CC)C1=O
InChIInChI=1S/C16H23FN2O2/c1-5-10(3)14-16(20)19(6-2)15(18-14)11-7-8-13(21-4)12(17)9-11/h7-10,14-15,18H,5-6H2,1-4H3
InChIKeyOMPCMTLCAJNVMU-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.70
Rot. Bonds5

About 5-butan-2-yl-3-ethyl-2-(3-fluoro-4-methoxyphenyl)imidazolidin-4-one

5-butan-2-yl-3-ethyl-2-(3-fluoro-4-methoxyphenyl)imidazolidin-4-one (PubChem CID 83239869) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 5-butan-2-yl-3-ethyl-2-(3-fluoro-4-methoxyphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-ethyl-2-(3-fluoro-4-methoxyphenyl)imidazolidin-4-one
PubChem CID83239869
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name5-butan-2-yl-3-ethyl-2-(3-fluoro-4-methoxyphenyl)imidazolidin-4-one
SMILESCCC(C)C1NC(c2ccc(OC)c(F)c2)N(CC)C1=O
InChIInChI=1S/C16H23FN2O2/c1-5-10(3)14-16(20)19(6-2)15(18-14)11-7-8-13(21-4)12(17)9-11/h7-10,14-15,18H,5-6H2,1-4H3
InChIKeyOMPCMTLCAJNVMU-UHFFFAOYSA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-ethyl-2-(3-fluoro-4-methoxyphenyl)imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-ethyl-2-(3-fluoro-4-methoxyphenyl)imidazolidin-4-one (CID 83239869) is 5-butan-2-yl-3-ethyl-2-(3-fluoro-4-methoxyphenyl)imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-ethyl-2-(3-fluoro-4-methoxyphenyl)imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-ethyl-2-(3-fluoro-4-methoxyphenyl)imidazolidin-4-one is CCC(C)C1NC(c2ccc(OC)c(F)c2)N(CC)C1=O.
What is the InChIKey of 5-butan-2-yl-3-ethyl-2-(3-fluoro-4-methoxyphenyl)imidazolidin-4-one?
The InChIKey is OMPCMTLCAJNVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-5-10(3)14-16(20)19(6-2)15(18-14)11-7-8-13(21-4)12(17)9-11/h7-10,14-15,18H,5-6H2,1-4H3.
What are the key properties of 5-butan-2-yl-3-ethyl-2-(3-fluoro-4-methoxyphenyl)imidazolidin-4-one?
5-butan-2-yl-3-ethyl-2-(3-fluoro-4-methoxyphenyl)imidazolidin-4-one has a molecular weight of 294.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-ethyl-2-(3-fluoro-4-methoxyphenyl)imidazolidin-4-one is sourced from PubChem (CID 83239869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).