3-butan-2-yl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one

C17H20N2OS — CID 83224947

IUPAC3-butan-2-yl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC(C)N1C(=O)C(c2ccccc2)NC1c1cccs1
InChIInChI=1S/C17H20N2OS/c1-3-12(2)19-16(14-10-7-11-21-14)18-15(17(19)20)13-8-5-4-6-9-13/h4-12,15-16,18H,3H2,1-2H3
InChIKeyTWMWAMZZSSJRNI-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.72
Rot. Bonds4

About 3-butan-2-yl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one

3-butan-2-yl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83224947) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-butan-2-yl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-butan-2-yl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83224947
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name3-butan-2-yl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC(C)N1C(=O)C(c2ccccc2)NC1c1cccs1
InChIInChI=1S/C17H20N2OS/c1-3-12(2)19-16(14-10-7-11-21-14)18-15(17(19)20)13-8-5-4-6-9-13/h4-12,15-16,18H,3H2,1-2H3
InChIKeyTWMWAMZZSSJRNI-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-butan-2-yl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83240108
3-methyl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one
CID 115282367
3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83239756
5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83242684
3-[1-(dimethylamino)propan-2-yl]-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83260443
3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83245275
3-[1-(diethylamino)propan-2-yl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 83252436
3-(1-methoxypropan-2-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83239793
3-(1-methylsulfonylpropan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83263977
3-(1-cyclopropylbutan-2-yl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 83264067
3-(1-cyclopentylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83263566
3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83239257

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-butan-2-yl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one (CID 83224947) is 3-butan-2-yl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-butan-2-yl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-butan-2-yl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one is CCC(C)N1C(=O)C(c2ccccc2)NC1c1cccs1.
What is the InChIKey of 3-butan-2-yl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is TWMWAMZZSSJRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-3-12(2)19-16(14-10-7-11-21-14)18-15(17(19)20)13-8-5-4-6-9-13/h4-12,15-16,18H,3H2,1-2H3.
What are the key properties of 3-butan-2-yl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one?
3-butan-2-yl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 300.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83224947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).