3-(1-cyclopentylethyl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one

C17H23FN2O — CID 83264546

IUPAC3-(1-cyclopentylethyl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2ccccc2F)N(C(C)C2CCCC2)C1=O
InChIInChI=1S/C17H23FN2O/c1-11-17(21)20(12(2)13-7-3-4-8-13)16(19-11)14-9-5-6-10-15(14)18/h5-6,9-13,16,19H,3-4,7-8H2,1-2H3
InChIKeyOXBYMSAQAOGWHH-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.22
Rot. Bonds3

About 3-(1-cyclopentylethyl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one

3-(1-cyclopentylethyl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one (PubChem CID 83264546) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 3-(1-cyclopentylethyl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1-cyclopentylethyl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one
PubChem CID83264546
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name3-(1-cyclopentylethyl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2ccccc2F)N(C(C)C2CCCC2)C1=O
InChIInChI=1S/C17H23FN2O/c1-11-17(21)20(12(2)13-7-3-4-8-13)16(19-11)14-9-5-6-10-15(14)18/h5-6,9-13,16,19H,3-4,7-8H2,1-2H3
InChIKeyOXBYMSAQAOGWHH-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylethyl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one?
The IUPAC name of 3-(1-cyclopentylethyl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one (CID 83264546) is 3-(1-cyclopentylethyl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-(1-cyclopentylethyl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 3-(1-cyclopentylethyl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one is CC1NC(c2ccccc2F)N(C(C)C2CCCC2)C1=O.
What is the InChIKey of 3-(1-cyclopentylethyl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one?
The InChIKey is OXBYMSAQAOGWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-11-17(21)20(12(2)13-7-3-4-8-13)16(19-11)14-9-5-6-10-15(14)18/h5-6,9-13,16,19H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(1-cyclopentylethyl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one?
3-(1-cyclopentylethyl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one has a molecular weight of 290.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylethyl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83264546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).