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

C13H17F3N2OS — CID 83250769

IUPAC5-butan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCCC(C)C1NC(c2ccsc2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C13H17F3N2OS/c1-3-8(2)10-12(19)18(7-13(14,15)16)11(17-10)9-4-5-20-6-9/h4-6,8,10-11,17H,3,7H2,1-2H3
InChIKeyBUPKJQVBNMCASE-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.16
Rot. Bonds4

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

5-butan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (PubChem CID 83250769) has the molecular formula C13H17F3N2OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 5-butan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
PubChem CID83250769
Molecular FormulaC13H17F3N2OS
Molecular Weight306.35 g/mol
Exact Mass306.10
IUPAC Name5-butan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCCC(C)C1NC(c2ccsc2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C13H17F3N2OS/c1-3-8(2)10-12(19)18(7-13(14,15)16)11(17-10)9-4-5-20-6-9/h4-6,8,10-11,17H,3,7H2,1-2H3
InChIKeyBUPKJQVBNMCASE-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (CID 83250769) is 5-butan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is CCC(C)C1NC(c2ccsc2)N(CC(F)(F)F)C1=O.
What is the InChIKey of 5-butan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The InChIKey is BUPKJQVBNMCASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2OS/c1-3-8(2)10-12(19)18(7-13(14,15)16)11(17-10)9-4-5-20-6-9/h4-6,8,10-11,17H,3,7H2,1-2H3.
What are the key properties of 5-butan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
5-butan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one has a molecular weight of 306.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is sourced from PubChem (CID 83250769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).