5-ethyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one

C13H17F3N2O2S — CID 83264528

IUPAC5-ethyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
SMILESCCC1NC(c2ccsc2)N(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C13H17F3N2O2S/c1-2-10-12(19)18(4-5-20-8-13(14,15)16)11(17-10)9-3-6-21-7-9/h3,6-7,10-11,17H,2,4-5,8H2,1H3
InChIKeyBPIYWZFHWBKVJF-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.54
Rot. Bonds6

About 5-ethyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one

5-ethyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one (PubChem CID 83264528) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 5-ethyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
PubChem CID83264528
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name5-ethyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
SMILESCCC1NC(c2ccsc2)N(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C13H17F3N2O2S/c1-2-10-12(19)18(4-5-20-8-13(14,15)16)11(17-10)9-3-6-21-7-9/h3,6-7,10-11,17H,2,4-5,8H2,1H3
InChIKeyBPIYWZFHWBKVJF-UHFFFAOYSA-N
XLogP2.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The IUPAC name of 5-ethyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one (CID 83264528) is 5-ethyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The canonical SMILES for 5-ethyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one is CCC1NC(c2ccsc2)N(CCOCC(F)(F)F)C1=O.
What is the InChIKey of 5-ethyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The InChIKey is BPIYWZFHWBKVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-2-10-12(19)18(4-5-20-8-13(14,15)16)11(17-10)9-3-6-21-7-9/h3,6-7,10-11,17H,2,4-5,8H2,1H3.
What are the key properties of 5-ethyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
5-ethyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one has a molecular weight of 322.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one is sourced from PubChem (CID 83264528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).