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

C14H19F3N2OS — CID 83249632

IUPAC5-butan-2-yl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESCCC(C)C1NC(c2ccsc2)N(CCC(F)(F)F)C1=O
InChIInChI=1S/C14H19F3N2OS/c1-3-9(2)11-13(20)19(6-5-14(15,16)17)12(18-11)10-4-7-21-8-10/h4,7-9,11-12,18H,3,5-6H2,1-2H3
InChIKeyAJDLLGORSNJWLG-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.55
Rot. Bonds5

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

5-butan-2-yl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (PubChem CID 83249632) has the molecular formula C14H19F3N2OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 5-butan-2-yl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
PubChem CID83249632
Molecular FormulaC14H19F3N2OS
Molecular Weight320.38 g/mol
Exact Mass320.12
IUPAC Name5-butan-2-yl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESCCC(C)C1NC(c2ccsc2)N(CCC(F)(F)F)C1=O
InChIInChI=1S/C14H19F3N2OS/c1-3-9(2)11-13(20)19(6-5-14(15,16)17)12(18-11)10-4-7-21-8-10/h4,7-9,11-12,18H,3,5-6H2,1-2H3
InChIKeyAJDLLGORSNJWLG-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
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-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (CID 83249632) is 5-butan-2-yl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is CCC(C)C1NC(c2ccsc2)N(CCC(F)(F)F)C1=O.
What is the InChIKey of 5-butan-2-yl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The InChIKey is AJDLLGORSNJWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2OS/c1-3-9(2)11-13(20)19(6-5-14(15,16)17)12(18-11)10-4-7-21-8-10/h4,7-9,11-12,18H,3,5-6H2,1-2H3.
What are the key properties of 5-butan-2-yl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
5-butan-2-yl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one has a molecular weight of 320.38 g/mol, XLogP of 3.55, 5 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-(3,3,3-trifluoropropyl)imidazolidin-4-one is sourced from PubChem (CID 83249632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).