2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one

C13H17FN2O — CID 115282121

IUPAC2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one
SMILESCCCN1C(=O)C(C)NC1c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O/c1-3-8-16-12(15-9(2)13(16)17)10-4-6-11(14)7-5-10/h4-7,9,12,15H,3,8H2,1-2H3
InChIKeyOCYWJZYEQNTNFE-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.05
Rot. Bonds3

About 2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one

2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one (PubChem CID 115282121) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one
PubChem CID115282121
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one
SMILESCCCN1C(=O)C(C)NC1c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O/c1-3-8-16-12(15-9(2)13(16)17)10-4-6-11(14)7-5-10/h4-7,9,12,15H,3,8H2,1-2H3
InChIKeyOCYWJZYEQNTNFE-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83250403
5-methyl-2-(4-propan-2-ylphenyl)-3-propylimidazolidin-4-one
CID 115282125
3-[2-[ethyl(methyl)amino]ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83255113
3-butyl-2-(4-tert-butylphenyl)-5-methylimidazolidin-4-one
CID 83238348
5-methyl-3-pentyl-2-phenylimidazolidin-4-one
CID 83250974
2-(4-methoxyphenyl)-5-methyl-3-pentylimidazolidin-4-one
CID 83250631
2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83248818
3-(2-ethoxyethyl)-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83236973
3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propylimidazolidin-4-one
CID 83233071
2-(4-ethylphenyl)-5-methyl-3-(3-methylbutyl)imidazolidin-4-one
CID 83237437
2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one
CID 83236742
5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one
CID 115282118

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one (CID 115282121) is 2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one is CCCN1C(=O)C(C)NC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one?
The InChIKey is OCYWJZYEQNTNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-3-8-16-12(15-9(2)13(16)17)10-4-6-11(14)7-5-10/h4-7,9,12,15H,3,8H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one?
2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one has a molecular weight of 236.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one is sourced from PubChem (CID 115282121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).