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

C17H28N2OS — CID 103466816

IUPAC5-butyl-3-(2,2-dimethylbutyl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCCC1NC(c2ccsc2)N(CC(C)(C)CC)C1=O
InChIInChI=1S/C17H28N2OS/c1-5-7-8-14-16(20)19(12-17(3,4)6-2)15(18-14)13-9-10-21-11-13/h9-11,14-15,18H,5-8,12H2,1-4H3
InChIKeyHJQKSMKUKFZMHJ-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.17
Rot. Bonds7

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

5-butyl-3-(2,2-dimethylbutyl)-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 103466816) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 5-butyl-3-(2,2-dimethylbutyl)-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(2,2-dimethylbutyl)-2-thiophen-3-ylimidazolidin-4-one
PubChem CID103466816
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name5-butyl-3-(2,2-dimethylbutyl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCCC1NC(c2ccsc2)N(CC(C)(C)CC)C1=O
InChIInChI=1S/C17H28N2OS/c1-5-7-8-14-16(20)19(12-17(3,4)6-2)15(18-14)13-9-10-21-11-13/h9-11,14-15,18H,5-8,12H2,1-4H3
InChIKeyHJQKSMKUKFZMHJ-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

3-[2-(dimethylamino)-2-methylpropyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83253987
5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83252274
5-butyl-3-(4-methoxybutyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83248664
5-butyl-3-(3,3-dimethylbutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 104830760
3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242253
5-propyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 106291556
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-cyclopentyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242915
5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one
CID 83246817
5-ethyl-3-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242612
3-(2-ethoxyethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83237977

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(2,2-dimethylbutyl)-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-(2,2-dimethylbutyl)-2-thiophen-3-ylimidazolidin-4-one (CID 103466816) is 5-butyl-3-(2,2-dimethylbutyl)-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(2,2-dimethylbutyl)-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(2,2-dimethylbutyl)-2-thiophen-3-ylimidazolidin-4-one is CCCCC1NC(c2ccsc2)N(CC(C)(C)CC)C1=O.
What is the InChIKey of 5-butyl-3-(2,2-dimethylbutyl)-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is HJQKSMKUKFZMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-5-7-8-14-16(20)19(12-17(3,4)6-2)15(18-14)13-9-10-21-11-13/h9-11,14-15,18H,5-8,12H2,1-4H3.
What are the key properties of 5-butyl-3-(2,2-dimethylbutyl)-2-thiophen-3-ylimidazolidin-4-one?
5-butyl-3-(2,2-dimethylbutyl)-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 308.49 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(2,2-dimethylbutyl)-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 103466816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).