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

C14H21N3OS — CID 83251904

IUPAC5-methyl-3-(2-pyrrolidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCC1NC(c2ccsc2)N(CCN2CCCC2)C1=O
InChIInChI=1S/C14H21N3OS/c1-11-14(18)17(8-7-16-5-2-3-6-16)13(15-11)12-4-9-19-10-12/h4,9-11,13,15H,2-3,5-8H2,1H3
InChIKeyXZCCRUFENHFIFA-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.66
Rot. Bonds4

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

5-methyl-3-(2-pyrrolidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83251904) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 5-methyl-3-(2-pyrrolidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-(2-pyrrolidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83251904
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name5-methyl-3-(2-pyrrolidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCC1NC(c2ccsc2)N(CCN2CCCC2)C1=O
InChIInChI=1S/C14H21N3OS/c1-11-14(18)17(8-7-16-5-2-3-6-16)13(15-11)12-4-9-19-10-12/h4,9-11,13,15H,2-3,5-8H2,1H3
InChIKeyXZCCRUFENHFIFA-UHFFFAOYSA-N
XLogP1.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-(2-piperidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83245085
5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 114517110
3-(2-cyclohexyloxyethyl)-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83262920
5-methyl-3-[(1-methylcyclobutyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 114109735
5-methyl-3-[2-(oxan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 106000166
5-methyl-2-thiophen-3-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
CID 83259776
5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 113225393
3,5-dimethyl-2-thiophen-3-ylimidazolidin-4-one
CID 83260781
5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83258294
5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83243425
5-methyl-3-(1-methylpiperidin-3-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83255677
5-methyl-3-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83253111

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-pyrrolidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 5-methyl-3-(2-pyrrolidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one (CID 83251904) is 5-methyl-3-(2-pyrrolidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-methyl-3-(2-pyrrolidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 5-methyl-3-(2-pyrrolidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one is CC1NC(c2ccsc2)N(CCN2CCCC2)C1=O.
What is the InChIKey of 5-methyl-3-(2-pyrrolidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is XZCCRUFENHFIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-11-14(18)17(8-7-16-5-2-3-6-16)13(15-11)12-4-9-19-10-12/h4,9-11,13,15H,2-3,5-8H2,1H3.
What are the key properties of 5-methyl-3-(2-pyrrolidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one?
5-methyl-3-(2-pyrrolidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 279.41 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-pyrrolidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83251904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).