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

C15H23N3OS — CID 83256663

IUPAC3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCC(C)N1CCC(CN2C(=O)CNC2c2ccsc2)C1
InChIInChI=1S/C15H23N3OS/c1-11(2)17-5-3-12(8-17)9-18-14(19)7-16-15(18)13-4-6-20-10-13/h4,6,10-12,15-16H,3,5,7-9H2,1-2H3
InChIKeyQWNXWRCOIWSULX-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.91
Rot. Bonds4

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

3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83256663) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83256663
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCC(C)N1CCC(CN2C(=O)CNC2c2ccsc2)C1
InChIInChI=1S/C15H23N3OS/c1-11(2)17-5-3-12(8-17)9-18-14(19)7-16-15(18)13-4-6-20-10-13/h4,6,10-12,15-16H,3,5,7-9H2,1-2H3
InChIKeyQWNXWRCOIWSULX-UHFFFAOYSA-N
XLogP1.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83255795
3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83249330
3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83254067
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
3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83238001
3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83247903
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
3-[4-(dimethylamino)butan-2-yl]-2-thiophen-3-ylimidazolidin-4-one
CID 83249965
3-(cyclobutylmethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
CID 83243420
5-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83245993

Frequently Asked Questions

What is the IUPAC name of 3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one (CID 83256663) is 3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one is CC(C)N1CCC(CN2C(=O)CNC2c2ccsc2)C1.
What is the InChIKey of 3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is QWNXWRCOIWSULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-11(2)17-5-3-12(8-17)9-18-14(19)7-16-15(18)13-4-6-20-10-13/h4,6,10-12,15-16H,3,5,7-9H2,1-2H3.
What are the key properties of 3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 293.44 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83256663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).