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

C13H19N3OS — CID 83249925

IUPAC5-methyl-3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCC1NC(c2cccs2)N(C2CCN(C)C2)C1=O
InChIInChI=1S/C13H19N3OS/c1-9-13(17)16(10-5-6-15(2)8-10)12(14-9)11-4-3-7-18-11/h3-4,7,9-10,12,14H,5-6,8H2,1-2H3
InChIKeyRAXSHVBQTDWSNX-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.27
Rot. Bonds2

About 5-methyl-3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazolidin-4-one

5-methyl-3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83249925) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 5-methyl-3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83249925
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name5-methyl-3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCC1NC(c2cccs2)N(C2CCN(C)C2)C1=O
InChIInChI=1S/C13H19N3OS/c1-9-13(17)16(10-5-6-15(2)8-10)12(14-9)11-4-3-7-18-11/h3-4,7,9-10,12,14H,5-6,8H2,1-2H3
InChIKeyRAXSHVBQTDWSNX-UHFFFAOYSA-N
XLogP1.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83243098
5-methyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83270215
2-(4-methoxyphenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one
CID 83252581
2-(3,4-difluorophenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one
CID 83252608
5-methyl-3-(1-methylpiperidin-4-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244068
5-methyl-3-(1-methylpiperidin-3-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83255677
5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83243425
3-(2-methoxycyclopentyl)-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83254151
5-ethyl-3-(4-methylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83239488
5-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83270697
3-(2-cyclohexylethyl)-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83256694
3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83242357

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 5-methyl-3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazolidin-4-one (CID 83249925) is 5-methyl-3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-methyl-3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 5-methyl-3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazolidin-4-one is CC1NC(c2cccs2)N(C2CCN(C)C2)C1=O.
What is the InChIKey of 5-methyl-3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is RAXSHVBQTDWSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9-13(17)16(10-5-6-15(2)8-10)12(14-9)11-4-3-7-18-11/h3-4,7,9-10,12,14H,5-6,8H2,1-2H3.
What are the key properties of 5-methyl-3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazolidin-4-one?
5-methyl-3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 265.38 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83249925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).