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

C11H15N3OS — CID 138390828

IUPAC5-(2,5-dimethylthiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1cc(C)sc1C
InChIInChI=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)
InChIKeyZNSQCHSTXDWVOL-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.43
Rot. Bonds2

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 Name5-(2,5-dimethylthiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one
PubChem CID138390828
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name5-(2,5-dimethylthiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1cc(C)sc1C
InChIInChI=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)
InChIKeyZNSQCHSTXDWVOL-UHFFFAOYSA-N
XLogP2.43
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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).