2-(3-fluorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one

C17H25FN2O — CID 83245919

IUPAC2-(3-fluorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one
SMILESCCC(CC)N1C(=O)C(C(C)C)NC1c1cccc(F)c1
InChIInChI=1S/C17H25FN2O/c1-5-14(6-2)20-16(12-8-7-9-13(18)10-12)19-15(11(3)4)17(20)21/h7-11,14-16,19H,5-6H2,1-4H3
InChIKeyHDKHXXDUTPTJJL-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.47
Rot. Bonds5

About 2-(3-fluorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one

2-(3-fluorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one (PubChem CID 83245919) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one
PubChem CID83245919
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name2-(3-fluorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one
SMILESCCC(CC)N1C(=O)C(C(C)C)NC1c1cccc(F)c1
InChIInChI=1S/C17H25FN2O/c1-5-14(6-2)20-16(12-8-7-9-13(18)10-12)19-15(11(3)4)17(20)21/h7-11,14-16,19H,5-6H2,1-4H3
InChIKeyHDKHXXDUTPTJJL-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

2-(3-chlorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one
CID 83246188
2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one
CID 83242425
2-(3-fluorophenyl)-3-(2-methoxyethyl)-5-propan-2-ylimidazolidin-4-one
CID 83242956
5-butan-2-yl-2-(3-fluorophenyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83263347
3-[4-(dimethylamino)butan-2-yl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83253328
5-ethyl-2-(3-fluorophenyl)-3-(1-methoxypropan-2-yl)imidazolidin-4-one
CID 83240074
(2R)-3-[(2R)-butan-2-yl]-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9008174
(2S)-3-[(2R)-butan-2-yl]-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9008176
3-(4-methylpentan-2-yl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
CID 83248068
2-(2,4-difluorophenyl)-3-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83239865
3-butan-2-yl-2-(2-fluorophenyl)-5-propan-2-ylimidazolidin-4-one
CID 83239512
2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257620

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 2-(3-fluorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one (CID 83245919) is 2-(3-fluorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one is CCC(CC)N1C(=O)C(C(C)C)NC1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one?
The InChIKey is HDKHXXDUTPTJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-5-14(6-2)20-16(12-8-7-9-13(18)10-12)19-15(11(3)4)17(20)21/h7-11,14-16,19H,5-6H2,1-4H3.
What are the key properties of 2-(3-fluorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one?
2-(3-fluorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one has a molecular weight of 292.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83245919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).