2,5-bis(2-methylpropyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one

C14H25F3N2OS — CID 106433344

IUPAC2,5-bis(2-methylpropyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one
SMILESCC(C)CC1NC(CC(C)C)N(CCSC(F)(F)F)C1=O
InChIInChI=1S/C14H25F3N2OS/c1-9(2)7-11-13(20)19(5-6-21-14(15,16)17)12(18-11)8-10(3)4/h9-12,18H,5-8H2,1-4H3
InChIKeyHEFYNESQJGDKSE-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.46
Rot. Bonds7

About 2,5-bis(2-methylpropyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one

2,5-bis(2-methylpropyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one (PubChem CID 106433344) has the molecular formula C14H25F3N2OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2,5-bis(2-methylpropyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one.

Molecular Properties

Compound Name2,5-bis(2-methylpropyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one
PubChem CID106433344
Molecular FormulaC14H25F3N2OS
Molecular Weight326.43 g/mol
Exact Mass326.16
IUPAC Name2,5-bis(2-methylpropyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one
SMILESCC(C)CC1NC(CC(C)C)N(CCSC(F)(F)F)C1=O
InChIInChI=1S/C14H25F3N2OS/c1-9(2)7-11-13(20)19(5-6-21-14(15,16)17)12(18-11)8-10(3)4/h9-12,18H,5-8H2,1-4H3
InChIKeyHEFYNESQJGDKSE-UHFFFAOYSA-N
XLogP3.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one
CID 83254863
3-(2,2-dimethylpropyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one
CID 83255978
2-methyl-5-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257702
3-methyl-6-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627625
3-(2-methoxy-2-methylpropyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one
CID 104767759
2-(2-methylpropyl)-3,5-dipropylimidazolidin-4-one
CID 83242530
3,3-dimethyl-6-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627641
5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one
CID 83260459
3-[2-(dimethylamino)ethyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83251512
2-ethyl-5-(2-methylpropyl)-3-octylimidazolidin-4-one
CID 83260834
actinium;(2R,5S)-3-hydroxy-2,5-bis(2-methylpropyl)imidazolidin-4-one
CID 59884006
5-benzyl-2-(2-methylpropyl)-3-propylimidazolidin-4-one
CID 83243023

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methylpropyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one?
The IUPAC name of 2,5-bis(2-methylpropyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one (CID 106433344) is 2,5-bis(2-methylpropyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one.
What is the SMILES notation for 2,5-bis(2-methylpropyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one?
The canonical SMILES for 2,5-bis(2-methylpropyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one is CC(C)CC1NC(CC(C)C)N(CCSC(F)(F)F)C1=O.
What is the InChIKey of 2,5-bis(2-methylpropyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one?
The InChIKey is HEFYNESQJGDKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2OS/c1-9(2)7-11-13(20)19(5-6-21-14(15,16)17)12(18-11)8-10(3)4/h9-12,18H,5-8H2,1-4H3.
What are the key properties of 2,5-bis(2-methylpropyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one?
2,5-bis(2-methylpropyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one has a molecular weight of 326.43 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methylpropyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one is sourced from PubChem (CID 106433344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).