5-butyl-3-pentan-3-yl-2-thiophen-3-ylimidazolidin-4-one

C16H26N2OS — CID 83243016

IUPAC5-butyl-3-pentan-3-yl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCCC1NC(c2ccsc2)N(C(CC)CC)C1=O
InChIInChI=1S/C16H26N2OS/c1-4-7-8-14-16(19)18(13(5-2)6-3)15(17-14)12-9-10-20-11-12/h9-11,13-15,17H,4-8H2,1-3H3
InChIKeyDHRVRAUHGAOLPC-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.93
Rot. Bonds7

About 5-butyl-3-pentan-3-yl-2-thiophen-3-ylimidazolidin-4-one

5-butyl-3-pentan-3-yl-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83243016) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 5-butyl-3-pentan-3-yl-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-pentan-3-yl-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83243016
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name5-butyl-3-pentan-3-yl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCCC1NC(c2ccsc2)N(C(CC)CC)C1=O
InChIInChI=1S/C16H26N2OS/c1-4-7-8-14-16(19)18(13(5-2)6-3)15(17-14)12-9-10-20-11-12/h9-11,13-15,17H,4-8H2,1-3H3
InChIKeyDHRVRAUHGAOLPC-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-butyl-3-pentan-3-yl-2-thiophen-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-3-pentan-3-yl-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-pentan-3-yl-2-thiophen-3-ylimidazolidin-4-one (CID 83243016) is 5-butyl-3-pentan-3-yl-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-pentan-3-yl-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-pentan-3-yl-2-thiophen-3-ylimidazolidin-4-one is CCCCC1NC(c2ccsc2)N(C(CC)CC)C1=O.
What is the InChIKey of 5-butyl-3-pentan-3-yl-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is DHRVRAUHGAOLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-7-8-14-16(19)18(13(5-2)6-3)15(17-14)12-9-10-20-11-12/h9-11,13-15,17H,4-8H2,1-3H3.
What are the key properties of 5-butyl-3-pentan-3-yl-2-thiophen-3-ylimidazolidin-4-one?
5-butyl-3-pentan-3-yl-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 294.46 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-pentan-3-yl-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83243016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).