3-(2,2-dimethylpropyl)-2-(2-fluorophenyl)-5-propylimidazolidin-4-one

C17H25FN2O — CID 83247055

IUPAC3-(2,2-dimethylpropyl)-2-(2-fluorophenyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccccc2F)N(CC(C)(C)C)C1=O
InChIInChI=1S/C17H25FN2O/c1-5-8-14-16(21)20(11-17(2,3)4)15(19-14)12-9-6-7-10-13(12)18/h6-7,9-10,14-15,19H,5,8,11H2,1-4H3
InChIKeyQEGQFUHWBZEMCW-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.47
Rot. Bonds4

About 3-(2,2-dimethylpropyl)-2-(2-fluorophenyl)-5-propylimidazolidin-4-one

3-(2,2-dimethylpropyl)-2-(2-fluorophenyl)-5-propylimidazolidin-4-one (PubChem CID 83247055) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-2-(2-fluorophenyl)-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-2-(2-fluorophenyl)-5-propylimidazolidin-4-one
PubChem CID83247055
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name3-(2,2-dimethylpropyl)-2-(2-fluorophenyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccccc2F)N(CC(C)(C)C)C1=O
InChIInChI=1S/C17H25FN2O/c1-5-8-14-16(21)20(11-17(2,3)4)15(19-14)12-9-6-7-10-13(12)18/h6-7,9-10,14-15,19H,5,8,11H2,1-4H3
InChIKeyQEGQFUHWBZEMCW-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-butyl-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one
CID 83237650
5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one
CID 83246817
2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one
CID 83237041
5-ethyl-2-(2-fluorophenyl)-3-(2-methylpropyl)imidazolidin-4-one
CID 83242658
3-(2,3-dimethylbutyl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one
CID 83266956
2-(2-fluorophenyl)-3-(oxolan-3-yl)-5-propylimidazolidin-4-one
CID 83267208
2-(2-fluorophenyl)-3,5-bis(2-methylpropyl)imidazolidin-4-one
CID 83245389
2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one
CID 83246229
2-(4-chlorophenyl)-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83244948
3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one
CID 114983573
5-ethyl-2-(2-methylphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83251359
3-methyl-5-propyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83260220

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-2-(2-fluorophenyl)-5-propylimidazolidin-4-one?
The IUPAC name of 3-(2,2-dimethylpropyl)-2-(2-fluorophenyl)-5-propylimidazolidin-4-one (CID 83247055) is 3-(2,2-dimethylpropyl)-2-(2-fluorophenyl)-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-2-(2-fluorophenyl)-5-propylimidazolidin-4-one?
The canonical SMILES for 3-(2,2-dimethylpropyl)-2-(2-fluorophenyl)-5-propylimidazolidin-4-one is CCCC1NC(c2ccccc2F)N(CC(C)(C)C)C1=O.
What is the InChIKey of 3-(2,2-dimethylpropyl)-2-(2-fluorophenyl)-5-propylimidazolidin-4-one?
The InChIKey is QEGQFUHWBZEMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-5-8-14-16(21)20(11-17(2,3)4)15(19-14)12-9-6-7-10-13(12)18/h6-7,9-10,14-15,19H,5,8,11H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-2-(2-fluorophenyl)-5-propylimidazolidin-4-one?
3-(2,2-dimethylpropyl)-2-(2-fluorophenyl)-5-propylimidazolidin-4-one has a molecular weight of 292.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-2-(2-fluorophenyl)-5-propylimidazolidin-4-one is sourced from PubChem (CID 83247055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).