3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one

C15H23N3OS — CID 83255799

IUPAC3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCCN1CCC(CN2C(=O)CNC2c2ccc(C)s2)C1
InChIInChI=1S/C15H23N3OS/c1-3-17-7-6-12(9-17)10-18-14(19)8-16-15(18)13-5-4-11(2)20-13/h4-5,12,15-16H,3,6-10H2,1-2H3
InChIKeyHNBAQCHYQDCRSG-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.83
Rot. Bonds4

About 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one

3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one (PubChem CID 83255799) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
PubChem CID83255799
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCCN1CCC(CN2C(=O)CNC2c2ccc(C)s2)C1
InChIInChI=1S/C15H23N3OS/c1-3-17-7-6-12(9-17)10-18-14(19)8-16-15(18)13-5-4-11(2)20-13/h4-5,12,15-16H,3,6-10H2,1-2H3
InChIKeyHNBAQCHYQDCRSG-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244089
2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one
CID 107299016
3-[(1-methylpiperidin-2-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83245106
3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83262823
2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one
CID 83260835
3-[(1-methylcyclopentyl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83258094
3-(2-cyclopentyloxyethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83257504
3-(3-methylsulfonylpropyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83246858
3-(1-cyclopropylbutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83264382
3-[3-[methyl(propan-2-yl)amino]propyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 106053056
3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83255795
3-cyclopentyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83243272

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The IUPAC name of 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one (CID 83255799) is 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The canonical SMILES for 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one is CCN1CCC(CN2C(=O)CNC2c2ccc(C)s2)C1.
What is the InChIKey of 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The InChIKey is HNBAQCHYQDCRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-3-17-7-6-12(9-17)10-18-14(19)8-16-15(18)13-5-4-11(2)20-13/h4-5,12,15-16H,3,6-10H2,1-2H3.
What are the key properties of 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one has a molecular weight of 293.44 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83255799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).