3-cyclobutyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one

C14H17FN2O — CID 83254892

IUPAC3-cyclobutyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2cccc(F)c2)N(C2CCC2)C1=O
InChIInChI=1S/C14H17FN2O/c1-9-14(18)17(12-6-3-7-12)13(16-9)10-4-2-5-11(15)8-10/h2,4-5,8-9,12-13,16H,3,6-7H2,1H3
InChIKeyWLEATTPGSNURDR-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.20
Rot. Bonds2

About 3-cyclobutyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one

3-cyclobutyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one (PubChem CID 83254892) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-cyclobutyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-cyclobutyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
PubChem CID83254892
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name3-cyclobutyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2cccc(F)c2)N(C2CCC2)C1=O
InChIInChI=1S/C14H17FN2O/c1-9-14(18)17(12-6-3-7-12)13(16-9)10-4-2-5-11(15)8-10/h2,4-5,8-9,12-13,16H,3,6-7H2,1H3
InChIKeyWLEATTPGSNURDR-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
The IUPAC name of 3-cyclobutyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one (CID 83254892) is 3-cyclobutyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-cyclobutyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 3-cyclobutyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one is CC1NC(c2cccc(F)c2)N(C2CCC2)C1=O.
What is the InChIKey of 3-cyclobutyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
The InChIKey is WLEATTPGSNURDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-9-14(18)17(12-6-3-7-12)13(16-9)10-4-2-5-11(15)8-10/h2,4-5,8-9,12-13,16H,3,6-7H2,1H3.
What are the key properties of 3-cyclobutyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
3-cyclobutyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one has a molecular weight of 248.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83254892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).