3-butan-2-yl-2-(2-fluorophenyl)-5-propan-2-ylimidazolidin-4-one

C16H23FN2O — CID 83239512

IUPAC3-butan-2-yl-2-(2-fluorophenyl)-5-propan-2-ylimidazolidin-4-one
SMILESCCC(C)N1C(=O)C(C(C)C)NC1c1ccccc1F
InChIInChI=1S/C16H23FN2O/c1-5-11(4)19-15(12-8-6-7-9-13(12)17)18-14(10(2)3)16(19)20/h6-11,14-15,18H,5H2,1-4H3
InChIKeyWKCVSFDWPJEKHL-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.08
Rot. Bonds4

About 3-butan-2-yl-2-(2-fluorophenyl)-5-propan-2-ylimidazolidin-4-one

3-butan-2-yl-2-(2-fluorophenyl)-5-propan-2-ylimidazolidin-4-one (PubChem CID 83239512) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-butan-2-yl-2-(2-fluorophenyl)-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-butan-2-yl-2-(2-fluorophenyl)-5-propan-2-ylimidazolidin-4-one
PubChem CID83239512
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name3-butan-2-yl-2-(2-fluorophenyl)-5-propan-2-ylimidazolidin-4-one
SMILESCCC(C)N1C(=O)C(C(C)C)NC1c1ccccc1F
InChIInChI=1S/C16H23FN2O/c1-5-11(4)19-15(12-8-6-7-9-13(12)17)18-14(10(2)3)16(19)20/h6-11,14-15,18H,5H2,1-4H3
InChIKeyWKCVSFDWPJEKHL-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-(2-fluorophenyl)-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-butan-2-yl-2-(2-fluorophenyl)-5-propan-2-ylimidazolidin-4-one (CID 83239512) is 3-butan-2-yl-2-(2-fluorophenyl)-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-butan-2-yl-2-(2-fluorophenyl)-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-butan-2-yl-2-(2-fluorophenyl)-5-propan-2-ylimidazolidin-4-one is CCC(C)N1C(=O)C(C(C)C)NC1c1ccccc1F.
What is the InChIKey of 3-butan-2-yl-2-(2-fluorophenyl)-5-propan-2-ylimidazolidin-4-one?
The InChIKey is WKCVSFDWPJEKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-5-11(4)19-15(12-8-6-7-9-13(12)17)18-14(10(2)3)16(19)20/h6-11,14-15,18H,5H2,1-4H3.
What are the key properties of 3-butan-2-yl-2-(2-fluorophenyl)-5-propan-2-ylimidazolidin-4-one?
3-butan-2-yl-2-(2-fluorophenyl)-5-propan-2-ylimidazolidin-4-one has a molecular weight of 278.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-(2-fluorophenyl)-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83239512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).