5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one

C17H28N2OS — CID 83245967

IUPAC5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
SMILESCCCCCN1C(=O)C(C(C)CC)NC1c1ccc(C)s1
InChIInChI=1S/C17H28N2OS/c1-5-7-8-11-19-16(14-10-9-13(4)21-14)18-15(17(19)20)12(3)6-2/h9-10,12,15-16,18H,5-8,11H2,1-4H3
InChIKeyKGOUZBISKBXZFQ-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.09
Rot. Bonds7

About 5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one

5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one (PubChem CID 83245967) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
PubChem CID83245967
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
SMILESCCCCCN1C(=O)C(C(C)CC)NC1c1ccc(C)s1
InChIInChI=1S/C17H28N2OS/c1-5-7-8-11-19-16(14-10-9-13(4)21-14)18-15(17(19)20)12(3)6-2/h9-10,12,15-16,18H,5-8,11H2,1-4H3
InChIKeyKGOUZBISKBXZFQ-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
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-cyclopropylethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83268604
5-butan-2-yl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83250979
5-butan-2-yl-3-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83260139
5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
CID 83246232
3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83245582
5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
CID 83245929
5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83257006
5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one
CID 83250722
2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one
CID 83260835
3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83256875
5-butan-2-yl-2-(4-chlorophenyl)-3-propylimidazolidin-4-one
CID 83242766
3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83247562

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one (CID 83245967) is 5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one is CCCCCN1C(=O)C(C(C)CC)NC1c1ccc(C)s1.
What is the InChIKey of 5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one?
The InChIKey is KGOUZBISKBXZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-5-7-8-11-19-16(14-10-9-13(4)21-14)18-15(17(19)20)12(3)6-2/h9-10,12,15-16,18H,5-8,11H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one?
5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one has a molecular weight of 308.49 g/mol, XLogP of 4.09, 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-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one is sourced from PubChem (CID 83245967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).