5-(2,5-dimethylthiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one

C₁₁H₁₅N₃OS — CID 138390828

About 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one

5-(2,5-dimethylthiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one (PubChem CID 138390828) has the molecular formula C₁₁H₁₅N₃OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one.

Molecular Properties

• Compound Name: 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one
• PubChem CID: 138390828
• Molecular Formula: C₁₁H₁₅N₃OS
• Molecular Weight: 237.33 g/mol
• Exact Mass: 237.09
• IUPAC Name: 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one
• SMILES: [H]/N=C1\NC(=O)N(CC)C1c1cc(C)sc1C
• InChI: InChI=1S/C11H15N3OS/c1-4-14-9(10(12)13-11(14)15)8-5-6(2)16-7(8)3/h5,9H,4H2,1-3H3,(H2,12,13,15)
• InChIKey: ZNSQCHSTXDWVOL-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 56.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	237.33
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one?

The IUPAC name of 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one (CID 138390828) is 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one.

What is the SMILES notation for 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one?

The canonical SMILES for 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one is [H]/N=C1\NC(=O)N(CC)C1c1cc(C)sc1C.

What is the InChIKey of 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one?

The InChIKey is ZNSQCHSTXDWVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-4-14-9(10(12)13-11(14)15)8-5-6(2)16-7(8)3/h5,9H,4H2,1-3H3,(H2,12,13,15).

What are the key properties of 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one?

5-(2,5-dimethylthiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one has a molecular weight of 237.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one is sourced from PubChem (CID 138390828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 138390828 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.