5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

C14H19F3N2OS — CID 83244694

IUPAC5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCCCCC1NC(c2ccc(C)s2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C14H19F3N2OS/c1-3-4-5-10-13(20)19(8-14(15,16)17)12(18-10)11-7-6-9(2)21-11/h6-7,10,12,18H,3-5,8H2,1-2H3
InChIKeyYMCKRNIDELXRGR-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.61
Rot. Bonds5

About 5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (PubChem CID 83244694) has the molecular formula C14H19F3N2OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
PubChem CID83244694
Molecular FormulaC14H19F3N2OS
Molecular Weight320.38 g/mol
Exact Mass320.12
IUPAC Name5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCCCCC1NC(c2ccc(C)s2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C14H19F3N2OS/c1-3-4-5-10-13(20)19(8-14(15,16)17)12(18-10)11-7-6-9(2)21-11/h6-7,10,12,18H,3-5,8H2,1-2H3
InChIKeyYMCKRNIDELXRGR-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-3-cyclopropyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83242881
5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
CID 83245916
3-[2-(dimethylamino)-2-methylpropyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83253376
5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
CID 83246232
5-ethyl-2-(5-methylthiophen-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one
CID 106433236
2-(4-chlorophenyl)-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83244948
5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83255175
5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one
CID 83246817
5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83257006
3-[2-(dimethylamino)ethyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83251342
2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroquinazolin-4-one
CID 17461328
3-(cyclopentylmethyl)-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244248

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The IUPAC name of 5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (CID 83244694) is 5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.
What is the SMILES notation for 5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The canonical SMILES for 5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is CCCCC1NC(c2ccc(C)s2)N(CC(F)(F)F)C1=O.
What is the InChIKey of 5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The InChIKey is YMCKRNIDELXRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2OS/c1-3-4-5-10-13(20)19(8-14(15,16)17)12(18-10)11-7-6-9(2)21-11/h6-7,10,12,18H,3-5,8H2,1-2H3.
What are the key properties of 5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one has a molecular weight of 320.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is sourced from PubChem (CID 83244694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).