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

C14H19F3N2OS — CID 83250190

IUPAC5-butyl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESCCCCC1NC(c2ccsc2)N(CCC(F)(F)F)C1=O
InChIInChI=1S/C14H19F3N2OS/c1-2-3-4-11-13(20)19(7-6-14(15,16)17)12(18-11)10-5-8-21-9-10/h5,8-9,11-12,18H,2-4,6-7H2,1H3
InChIKeyAHSUCGOVZIRSAF-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.69
Rot. Bonds6

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

5-butyl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (PubChem CID 83250190) has the molecular formula C14H19F3N2OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 5-butyl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
PubChem CID83250190
Molecular FormulaC14H19F3N2OS
Molecular Weight320.38 g/mol
Exact Mass320.12
IUPAC Name5-butyl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESCCCCC1NC(c2ccsc2)N(CCC(F)(F)F)C1=O
InChIInChI=1S/C14H19F3N2OS/c1-2-3-4-11-13(20)19(7-6-14(15,16)17)12(18-11)10-5-8-21-9-10/h5,8-9,11-12,18H,2-4,6-7H2,1H3
InChIKeyAHSUCGOVZIRSAF-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.69
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-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The IUPAC name of 5-butyl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (CID 83250190) is 5-butyl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.
What is the SMILES notation for 5-butyl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The canonical SMILES for 5-butyl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is CCCCC1NC(c2ccsc2)N(CCC(F)(F)F)C1=O.
What is the InChIKey of 5-butyl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The InChIKey is AHSUCGOVZIRSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2OS/c1-2-3-4-11-13(20)19(7-6-14(15,16)17)12(18-11)10-5-8-21-9-10/h5,8-9,11-12,18H,2-4,6-7H2,1H3.
What are the key properties of 5-butyl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
5-butyl-2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one has a molecular weight of 320.38 g/mol, XLogP of 3.69, 6 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-(3,3,3-trifluoropropyl)imidazolidin-4-one is sourced from PubChem (CID 83250190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).