5-ethyl-3-(2-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one

C17H26N2OS — CID 83253806

IUPAC5-ethyl-3-(2-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC1NC(c2cccs2)N(C2CCCCC2CC)C1=O
InChIInChI=1S/C17H26N2OS/c1-3-12-8-5-6-9-14(12)19-16(15-10-7-11-21-15)18-13(4-2)17(19)20/h7,10-14,16,18H,3-6,8-9H2,1-2H3
InChIKeyARZYSNPOJSFTSJ-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.93
Rot. Bonds4

About 5-ethyl-3-(2-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one

5-ethyl-3-(2-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83253806) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 5-ethyl-3-(2-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-(2-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83253806
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name5-ethyl-3-(2-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC1NC(c2cccs2)N(C2CCCCC2CC)C1=O
InChIInChI=1S/C17H26N2OS/c1-3-12-8-5-6-9-14(12)19-16(15-10-7-11-21-15)18-13(4-2)17(19)20/h7,10-14,16,18H,3-6,8-9H2,1-2H3
InChIKeyARZYSNPOJSFTSJ-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 5-ethyl-3-(2-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one (CID 83253806) is 5-ethyl-3-(2-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-ethyl-3-(2-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 5-ethyl-3-(2-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one is CCC1NC(c2cccs2)N(C2CCCCC2CC)C1=O.
What is the InChIKey of 5-ethyl-3-(2-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is ARZYSNPOJSFTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-3-12-8-5-6-9-14(12)19-16(15-10-7-11-21-15)18-13(4-2)17(19)20/h7,10-14,16,18H,3-6,8-9H2,1-2H3.
What are the key properties of 5-ethyl-3-(2-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one?
5-ethyl-3-(2-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 306.47 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83253806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).