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

C17H28N2OS — CID 83246232

IUPAC5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
SMILESCCCCCN1C(=O)C(CC(C)C)NC1c1ccc(C)s1
InChIInChI=1S/C17H28N2OS/c1-5-6-7-10-19-16(15-9-8-13(4)21-15)18-14(17(19)20)11-12(2)3/h8-9,12,14,16,18H,5-7,10-11H2,1-4H3
InChIKeyUWTORPMCTJUFTD-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.09
Rot. Bonds7

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

5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one (PubChem CID 83246232) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
PubChem CID83246232
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
SMILESCCCCCN1C(=O)C(CC(C)C)NC1c1ccc(C)s1
InChIInChI=1S/C17H28N2OS/c1-5-6-7-10-19-16(15-9-8-13(4)21-15)18-14(17(19)20)11-12(2)3/h8-9,12,14,16,18H,5-7,10-11H2,1-4H3
InChIKeyUWTORPMCTJUFTD-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-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83257006
5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
CID 83245967
3-[2-(dimethylamino)ethyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83251342
2-ethyl-5-(2-methylpropyl)-3-octylimidazolidin-4-one
CID 83260834
5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83244694
3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83245582
2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one
CID 83260835
2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-3-propylimidazolidin-4-one
CID 83246425
5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-(thiolan-3-yl)imidazolidin-4-one
CID 103065430
5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
CID 83245916
5-butyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83243552
5-ethyl-2-(5-methylthiophen-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one
CID 106433236

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one?
The IUPAC name of 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one (CID 83246232) is 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one.
What is the SMILES notation for 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one?
The canonical SMILES for 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one is CCCCCN1C(=O)C(CC(C)C)NC1c1ccc(C)s1.
What is the InChIKey of 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one?
The InChIKey is UWTORPMCTJUFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-5-6-7-10-19-16(15-9-8-13(4)21-15)18-14(17(19)20)11-12(2)3/h8-9,12,14,16,18H,5-7,10-11H2,1-4H3.
What are the key properties of 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one?
5-(2-methylpropyl)-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-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one is sourced from PubChem (CID 83246232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).