5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one

C17H28N2OS — CID 83245916

IUPAC5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
SMILESCCCCC1NC(c2ccc(C)s2)N(C(CC)CC)C1=O
InChIInChI=1S/C17H28N2OS/c1-5-8-9-14-17(20)19(13(6-2)7-3)16(18-14)15-11-10-12(4)21-15/h10-11,13-14,16,18H,5-9H2,1-4H3
InChIKeyYSQZYNIEXHTOIN-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.23
Rot. Bonds7

About 5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one

5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one (PubChem CID 83245916) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
PubChem CID83245916
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
SMILESCCCCC1NC(c2ccc(C)s2)N(C(CC)CC)C1=O
InChIInChI=1S/C17H28N2OS/c1-5-8-9-14-17(20)19(13(6-2)7-3)16(18-14)15-11-10-12(4)21-15/h10-11,13-14,16,18H,5-9H2,1-4H3
InChIKeyYSQZYNIEXHTOIN-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one?
The IUPAC name of 5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one (CID 83245916) is 5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one?
The canonical SMILES for 5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one is CCCCC1NC(c2ccc(C)s2)N(C(CC)CC)C1=O.
What is the InChIKey of 5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one?
The InChIKey is YSQZYNIEXHTOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-5-8-9-14-17(20)19(13(6-2)7-3)16(18-14)15-11-10-12(4)21-15/h10-11,13-14,16,18H,5-9H2,1-4H3.
What are the key properties of 5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one?
5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one has a molecular weight of 308.49 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one is sourced from PubChem (CID 83245916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).