3-(3-methylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one

C12H18N2OS — CID 83251011

IUPAC3-(3-methylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCC(C)C(C)N1C(=O)CNC1c1cccs1
InChIInChI=1S/C12H18N2OS/c1-8(2)9(3)14-11(15)7-13-12(14)10-5-4-6-16-10/h4-6,8-9,12-13H,7H2,1-3H3
InChIKeyNCJVSVDWPZFPBO-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.22
Rot. Bonds3

About 3-(3-methylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one

3-(3-methylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83251011) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-(3-methylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3-methylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83251011
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-(3-methylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCC(C)C(C)N1C(=O)CNC1c1cccs1
InChIInChI=1S/C12H18N2OS/c1-8(2)9(3)14-11(15)7-13-12(14)10-5-4-6-16-10/h4-6,8-9,12-13H,7H2,1-3H3
InChIKeyNCJVSVDWPZFPBO-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-(3-methylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one (CID 83251011) is 3-(3-methylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(3-methylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(3-methylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one is CC(C)C(C)N1C(=O)CNC1c1cccs1.
What is the InChIKey of 3-(3-methylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is NCJVSVDWPZFPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8(2)9(3)14-11(15)7-13-12(14)10-5-4-6-16-10/h4-6,8-9,12-13H,7H2,1-3H3.
What are the key properties of 3-(3-methylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one?
3-(3-methylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 238.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83251011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).