5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one

C16H27N3OS — CID 83252274

IUPAC5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCCC1NC(c2ccsc2)N(CC(C)N(C)C)C1=O
InChIInChI=1S/C16H27N3OS/c1-5-6-7-14-16(20)19(10-12(2)18(3)4)15(17-14)13-8-9-21-11-13/h8-9,11-12,14-15,17H,5-7,10H2,1-4H3
InChIKeyKPGJHSSGTGLABZ-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.69
Rot. Bonds7

About 5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one

5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83252274) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83252274
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCCC1NC(c2ccsc2)N(CC(C)N(C)C)C1=O
InChIInChI=1S/C16H27N3OS/c1-5-6-7-14-16(20)19(10-12(2)18(3)4)15(17-14)13-8-9-21-11-13/h8-9,11-12,14-15,17H,5-7,10H2,1-4H3
InChIKeyKPGJHSSGTGLABZ-UHFFFAOYSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one (CID 83252274) is 5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one is CCCCC1NC(c2ccsc2)N(CC(C)N(C)C)C1=O.
What is the InChIKey of 5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is KPGJHSSGTGLABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-5-6-7-14-16(20)19(10-12(2)18(3)4)15(17-14)13-8-9-21-11-13/h8-9,11-12,14-15,17H,5-7,10H2,1-4H3.
What are the key properties of 5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one?
5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 309.48 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83252274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).