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

C16H26N2OS — CID 83250979

IUPAC5-butan-2-yl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCCCN1C(=O)C(C(C)CC)NC1c1cccs1
InChIInChI=1S/C16H26N2OS/c1-4-6-7-10-18-15(13-9-8-11-20-13)17-14(16(18)19)12(3)5-2/h8-9,11-12,14-15,17H,4-7,10H2,1-3H3
InChIKeyHHWVBQNCMCVNLW-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.78
Rot. Bonds7

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

5-butan-2-yl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83250979) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 5-butan-2-yl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83250979
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name5-butan-2-yl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCCCN1C(=O)C(C(C)CC)NC1c1cccs1
InChIInChI=1S/C16H26N2OS/c1-4-6-7-10-18-15(13-9-8-11-20-13)17-14(16(18)19)12(3)5-2/h8-9,11-12,14-15,17H,4-7,10H2,1-3H3
InChIKeyHHWVBQNCMCVNLW-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-butan-2-yl-3-(2-propan-2-yloxyethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 104767703
5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
CID 83245967
5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83244038
5-butyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83243552
3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83262811
3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83239257
5-butan-2-yl-3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83270001
5-butan-2-yl-3-(2-methylcyclopropyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83254989
5-butyl-3-(3-methylbutyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83237065
5-ethyl-3-(4-methylpentyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83255454
3-[4-(dimethylamino)butyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 83246154
5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one
CID 83250722

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one (CID 83250979) is 5-butan-2-yl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one is CCCCCN1C(=O)C(C(C)CC)NC1c1cccs1.
What is the InChIKey of 5-butan-2-yl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is HHWVBQNCMCVNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-6-7-10-18-15(13-9-8-11-20-13)17-14(16(18)19)12(3)5-2/h8-9,11-12,14-15,17H,4-7,10H2,1-3H3.
What are the key properties of 5-butan-2-yl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one?
5-butan-2-yl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 294.46 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83250979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).