3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one

C17H25FN2O — CID 114983573

IUPAC3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one
SMILESCCC1NC(c2ccccc2F)N(C(C)C(C)(C)C)C1=O
InChIInChI=1S/C17H25FN2O/c1-6-14-16(21)20(11(2)17(3,4)5)15(19-14)12-9-7-8-10-13(12)18/h7-11,14-15,19H,6H2,1-5H3
InChIKeyYWEDGRVFCNQZIY-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.47
Rot. Bonds3

About 3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one

3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one (PubChem CID 114983573) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one
PubChem CID114983573
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one
SMILESCCC1NC(c2ccccc2F)N(C(C)C(C)(C)C)C1=O
InChIInChI=1S/C17H25FN2O/c1-6-14-16(21)20(11(2)17(3,4)5)15(19-14)12-9-7-8-10-13(12)18/h7-11,14-15,19H,6H2,1-5H3
InChIKeyYWEDGRVFCNQZIY-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3-dimethylbutan-2-yl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one
CID 114983547
3-(2,3-dimethylbutyl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one
CID 83266956
5-ethyl-2-(2-fluorophenyl)-3-(2-methylpropyl)imidazolidin-4-one
CID 83242658
2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one
CID 83237041
3-butyl-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one
CID 83237650
3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-methylimidazolidin-4-one
CID 104830799
3-cyclohexyl-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one
CID 83246724
3-butan-2-yl-2-(2-fluorophenyl)-5-propan-2-ylimidazolidin-4-one
CID 83239512
2-(2-fluorophenyl)-3-pentan-2-yl-5-propan-2-ylimidazolidin-4-one
CID 83237806
3-(2,2-dimethylpropyl)-2-(2-fluorophenyl)-5-propylimidazolidin-4-one
CID 83247055
2-(2-fluorophenyl)-3,5-bis(2-methylpropyl)imidazolidin-4-one
CID 83245389
2-(2-fluorophenyl)-5-methyl-3-(4-methylpentan-2-yl)imidazolidin-4-one
CID 83243607

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one?
The IUPAC name of 3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one (CID 114983573) is 3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one?
The canonical SMILES for 3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one is CCC1NC(c2ccccc2F)N(C(C)C(C)(C)C)C1=O.
What is the InChIKey of 3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one?
The InChIKey is YWEDGRVFCNQZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-6-14-16(21)20(11(2)17(3,4)5)15(19-14)12-9-7-8-10-13(12)18/h7-11,14-15,19H,6H2,1-5H3.
What are the key properties of 3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one?
3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one has a molecular weight of 292.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one is sourced from PubChem (CID 114983573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).