5-butyl-3-(3,3-dimethylbutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one

C17H28N2OS — CID 104830760

IUPAC5-butyl-3-(3,3-dimethylbutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCCC1NC(c2ccsc2)N(C(C)C(C)(C)C)C1=O
InChIInChI=1S/C17H28N2OS/c1-6-7-8-14-16(20)19(12(2)17(3,4)5)15(18-14)13-9-10-21-11-13/h9-12,14-15,18H,6-8H2,1-5H3
InChIKeyFSBZOJSXGWFQBT-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.17
Rot. Bonds5

About 5-butyl-3-(3,3-dimethylbutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one

5-butyl-3-(3,3-dimethylbutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 104830760) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 5-butyl-3-(3,3-dimethylbutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(3,3-dimethylbutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
PubChem CID104830760
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name5-butyl-3-(3,3-dimethylbutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCCC1NC(c2ccsc2)N(C(C)C(C)(C)C)C1=O
InChIInChI=1S/C17H28N2OS/c1-6-7-8-14-16(20)19(12(2)17(3,4)5)15(18-14)13-9-10-21-11-13/h9-12,14-15,18H,6-8H2,1-5H3
InChIKeyFSBZOJSXGWFQBT-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-3-pentan-3-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83243016
5-butyl-3-hexan-3-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83251878
5-butyl-3-(2,2-dimethylbutyl)-2-thiophen-3-ylimidazolidin-4-one
CID 103466816
5-ethyl-3-hexan-2-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83252367
5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83252274
5-ethyl-3-pentan-2-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83240083
5-butyl-3-cyclopentyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242915
3-[4-(dimethylamino)butan-2-yl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83253318
5-butyl-3-(3,3-dimethylbutan-2-yl)-2-propylimidazolidin-4-one
CID 104830708
3-(1-methoxybutan-2-yl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83263488
5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83248366
5-butyl-3-(4-methoxybutyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83248664

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(3,3-dimethylbutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-(3,3-dimethylbutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one (CID 104830760) is 5-butyl-3-(3,3-dimethylbutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(3,3-dimethylbutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(3,3-dimethylbutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one is CCCCC1NC(c2ccsc2)N(C(C)C(C)(C)C)C1=O.
What is the InChIKey of 5-butyl-3-(3,3-dimethylbutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is FSBZOJSXGWFQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-6-7-8-14-16(20)19(12(2)17(3,4)5)15(18-14)13-9-10-21-11-13/h9-12,14-15,18H,6-8H2,1-5H3.
What are the key properties of 5-butyl-3-(3,3-dimethylbutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one?
5-butyl-3-(3,3-dimethylbutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 308.49 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(3,3-dimethylbutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 104830760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).