5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

C14H19F3N2OS — CID 83248709

IUPAC5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESCCC1(C)NC(c2ccc(C)s2)N(CCC(F)(F)F)C1=O
InChIInChI=1S/C14H19F3N2OS/c1-4-13(3)12(20)19(8-7-14(15,16)17)11(18-13)10-6-5-9(2)21-10/h5-6,11,18H,4,7-8H2,1-3H3
InChIKeyRTBNMTCBBWMZDU-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.61
Rot. Bonds4

About 5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (PubChem CID 83248709) has the molecular formula C14H19F3N2OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
PubChem CID83248709
Molecular FormulaC14H19F3N2OS
Molecular Weight320.38 g/mol
Exact Mass320.12
IUPAC Name5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESCCC1(C)NC(c2ccc(C)s2)N(CCC(F)(F)F)C1=O
InChIInChI=1S/C14H19F3N2OS/c1-4-13(3)12(20)19(8-7-14(15,16)17)11(18-13)10-6-5-9(2)21-10/h5-6,11,18H,4,7-8H2,1-3H3
InChIKeyRTBNMTCBBWMZDU-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (CID 83248709) is 5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is CCC1(C)NC(c2ccc(C)s2)N(CCC(F)(F)F)C1=O.
What is the InChIKey of 5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The InChIKey is RTBNMTCBBWMZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2OS/c1-4-13(3)12(20)19(8-7-14(15,16)17)11(18-13)10-6-5-9(2)21-10/h5-6,11,18H,4,7-8H2,1-3H3.
What are the key properties of 5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one has a molecular weight of 320.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is sourced from PubChem (CID 83248709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).