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

C13H17F3N2OS — CID 83251108

IUPAC5-butyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCCCCC1NC(c2ccsc2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C13H17F3N2OS/c1-2-3-4-10-12(19)18(8-13(14,15)16)11(17-10)9-5-6-20-7-9/h5-7,10-11,17H,2-4,8H2,1H3
InChIKeyGJEFWINDJWZJAF-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.30
Rot. Bonds5

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

5-butyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (PubChem CID 83251108) has the molecular formula C13H17F3N2OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 5-butyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
PubChem CID83251108
Molecular FormulaC13H17F3N2OS
Molecular Weight306.35 g/mol
Exact Mass306.10
IUPAC Name5-butyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCCCCC1NC(c2ccsc2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C13H17F3N2OS/c1-2-3-4-10-12(19)18(8-13(14,15)16)11(17-10)9-5-6-20-7-9/h5-7,10-11,17H,2-4,8H2,1H3
InChIKeyGJEFWINDJWZJAF-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The IUPAC name of 5-butyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (CID 83251108) is 5-butyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.
What is the SMILES notation for 5-butyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The canonical SMILES for 5-butyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is CCCCC1NC(c2ccsc2)N(CC(F)(F)F)C1=O.
What is the InChIKey of 5-butyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The InChIKey is GJEFWINDJWZJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2OS/c1-2-3-4-10-12(19)18(8-13(14,15)16)11(17-10)9-5-6-20-7-9/h5-7,10-11,17H,2-4,8H2,1H3.
What are the key properties of 5-butyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
5-butyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one has a molecular weight of 306.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is sourced from PubChem (CID 83251108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).