5-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-2-ylimidazolidin-4-one

C16H25N3OS — CID 83249841

IUPAC5-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCC(CN1CCCC1)CN1C(=O)C(C)NC1c1cccs1
InChIInChI=1S/C16H25N3OS/c1-12(10-18-7-3-4-8-18)11-19-15(14-6-5-9-21-14)17-13(2)16(19)20/h5-6,9,12-13,15,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyVXKZESOPIZREIC-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.30
Rot. Bonds5

About 5-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-2-ylimidazolidin-4-one

5-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83249841) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 5-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83249841
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name5-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCC(CN1CCCC1)CN1C(=O)C(C)NC1c1cccs1
InChIInChI=1S/C16H25N3OS/c1-12(10-18-7-3-4-8-18)11-19-15(14-6-5-9-21-14)17-13(2)16(19)20/h5-6,9,12-13,15,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyVXKZESOPIZREIC-UHFFFAOYSA-N
XLogP2.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-cyclohexylethyl)-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83256694
3-(3-cyclopentylpropyl)-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 106011241
5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83244038
3-cyclopentyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83243098
5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83242684
3-[1-(dimethylamino)propan-2-yl]-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83260443
3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83239257
5-methyl-3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83249925
5-methyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83270215
3-(2-methoxycyclopentyl)-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83254151
3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83255014
5-methyl-3-(2-pyrrolidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83251904

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 5-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-2-ylimidazolidin-4-one (CID 83249841) is 5-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 5-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-2-ylimidazolidin-4-one is CC(CN1CCCC1)CN1C(=O)C(C)NC1c1cccs1.
What is the InChIKey of 5-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is VXKZESOPIZREIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-12(10-18-7-3-4-8-18)11-19-15(14-6-5-9-21-14)17-13(2)16(19)20/h5-6,9,12-13,15,17H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 5-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-2-ylimidazolidin-4-one?
5-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 307.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83249841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).