3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one

C11H16N2OS — CID 83239756

IUPAC3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC(C)N1C(=O)CNC1c1cccs1
InChIInChI=1S/C11H16N2OS/c1-3-8(2)13-10(14)7-12-11(13)9-5-4-6-15-9/h4-6,8,11-12H,3,7H2,1-2H3
InChIKeyMBCAXTYTNFZIDM-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.98
Rot. Bonds3

About 3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one

3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83239756) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83239756
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC(C)N1C(=O)CNC1c1cccs1
InChIInChI=1S/C11H16N2OS/c1-3-8(2)13-10(14)7-12-11(13)9-5-4-6-15-9/h4-6,8,11-12H,3,7H2,1-2H3
InChIKeyMBCAXTYTNFZIDM-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one (CID 83239756) is 3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one is CCC(C)N1C(=O)CNC1c1cccs1.
What is the InChIKey of 3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is MBCAXTYTNFZIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-3-8(2)13-10(14)7-12-11(13)9-5-4-6-15-9/h4-6,8,11-12H,3,7H2,1-2H3.
What are the key properties of 3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 224.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83239756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).