5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

C12H15F3N2OS — CID 83255175

IUPAC5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESCc1ccc(C2NC(C)C(=O)N2CCC(F)(F)F)s1
InChIInChI=1S/C12H15F3N2OS/c1-7-3-4-9(19-7)10-16-8(2)11(18)17(10)6-5-12(13,14)15/h3-4,8,10,16H,5-6H2,1-2H3
InChIKeyKESKWFBRQFBWTJ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.83
Rot. Bonds3

About 5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (PubChem CID 83255175) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
PubChem CID83255175
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESCc1ccc(C2NC(C)C(=O)N2CCC(F)(F)F)s1
InChIInChI=1S/C12H15F3N2OS/c1-7-3-4-9(19-7)10-16-8(2)11(18)17(10)6-5-12(13,14)15/h3-4,8,10,16H,5-6H2,1-2H3
InChIKeyKESKWFBRQFBWTJ-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(5-methylthiophen-2-yl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 104767656
5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83248709
2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83248818
5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
CID 83242674
5-ethyl-2-(5-methylthiophen-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one
CID 106433236
5-methyl-2-thiophen-3-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
CID 83259776
5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83244694
5-methyl-3-(1-methylpiperidin-4-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244068
3-cycloheptyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83243481
2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83267017
3-[2-(dimethylamino)ethyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83251342
3-(1-cyclopropylethyl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244020

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The IUPAC name of 5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (CID 83255175) is 5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.
What is the SMILES notation for 5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The canonical SMILES for 5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is Cc1ccc(C2NC(C)C(=O)N2CCC(F)(F)F)s1.
What is the InChIKey of 5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The InChIKey is KESKWFBRQFBWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-7-3-4-9(19-7)10-16-8(2)11(18)17(10)6-5-12(13,14)15/h3-4,8,10,16H,5-6H2,1-2H3.
What are the key properties of 5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one has a molecular weight of 292.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is sourced from PubChem (CID 83255175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).