3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one

C13H19N3OS — CID 83255795

IUPAC3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCN1CCC(CN2C(=O)CNC2c2ccsc2)C1
InChIInChI=1S/C13H19N3OS/c1-15-4-2-10(7-15)8-16-12(17)6-14-13(16)11-3-5-18-9-11/h3,5,9-10,13-14H,2,4,6-8H2,1H3
InChIKeyWYEAFQQDZOJGMO-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.13
Rot. Bonds3

About 3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one

3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83255795) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83255795
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCN1CCC(CN2C(=O)CNC2c2ccsc2)C1
InChIInChI=1S/C13H19N3OS/c1-15-4-2-10(7-15)8-16-12(17)6-14-13(16)11-3-5-18-9-11/h3,5,9-10,13-14H,2,4,6-8H2,1H3
InChIKeyWYEAFQQDZOJGMO-UHFFFAOYSA-N
XLogP1.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83249330
3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83256663
3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83254067
3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83238001
3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83247903
2-(2,4-dimethylphenyl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one
CID 83245513
3-[2-(3-methylcyclohexyl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83264612
2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83254696
2-(3-methylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazolidin-4-one
CID 83246906
3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 102702005
3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83255014
5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 114517110

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one (CID 83255795) is 3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one is CN1CCC(CN2C(=O)CNC2c2ccsc2)C1.
What is the InChIKey of 3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is WYEAFQQDZOJGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-15-4-2-10(7-15)8-16-12(17)6-14-13(16)11-3-5-18-9-11/h3,5,9-10,13-14H,2,4,6-8H2,1H3.
What are the key properties of 3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 265.38 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83255795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).