5-methyl-3-[(1-methylcyclobutyl)methyl]-2-thiophen-3-ylimidazolidin-4-one

C14H20N2OS — CID 114109735

IUPAC5-methyl-3-[(1-methylcyclobutyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCC1NC(c2ccsc2)N(CC2(C)CCC2)C1=O
InChIInChI=1S/C14H20N2OS/c1-10-13(17)16(9-14(2)5-3-6-14)12(15-10)11-4-7-18-8-11/h4,7-8,10,12,15H,3,5-6,9H2,1-2H3
InChIKeyCPTVJLFYXRNXDO-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.76
Rot. Bonds3

About 5-methyl-3-[(1-methylcyclobutyl)methyl]-2-thiophen-3-ylimidazolidin-4-one

5-methyl-3-[(1-methylcyclobutyl)methyl]-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 114109735) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 5-methyl-3-[(1-methylcyclobutyl)methyl]-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[(1-methylcyclobutyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
PubChem CID114109735
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name5-methyl-3-[(1-methylcyclobutyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCC1NC(c2ccsc2)N(CC2(C)CCC2)C1=O
InChIInChI=1S/C14H20N2OS/c1-10-13(17)16(9-14(2)5-3-6-14)12(15-10)11-4-7-18-8-11/h4,7-8,10,12,15H,3,5-6,9H2,1-2H3
InChIKeyCPTVJLFYXRNXDO-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3-[(1-methylcyclopentyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
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CID 83251904
5-methyl-3-(2-piperidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83245085
5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
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3,5-dimethyl-2-thiophen-3-ylimidazolidin-4-one
CID 83260781
5-methyl-2-thiophen-3-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
CID 83259776
3-(2-cyclohexyloxyethyl)-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83262920
5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 114517110
5-methyl-3-[2-(oxan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 106000166
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
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(1-methylcyclobutyl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 5-methyl-3-[(1-methylcyclobutyl)methyl]-2-thiophen-3-ylimidazolidin-4-one (CID 114109735) is 5-methyl-3-[(1-methylcyclobutyl)methyl]-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-methyl-3-[(1-methylcyclobutyl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 5-methyl-3-[(1-methylcyclobutyl)methyl]-2-thiophen-3-ylimidazolidin-4-one is CC1NC(c2ccsc2)N(CC2(C)CCC2)C1=O.
What is the InChIKey of 5-methyl-3-[(1-methylcyclobutyl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is CPTVJLFYXRNXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-13(17)16(9-14(2)5-3-6-14)12(15-10)11-4-7-18-8-11/h4,7-8,10,12,15H,3,5-6,9H2,1-2H3.
What are the key properties of 5-methyl-3-[(1-methylcyclobutyl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
5-methyl-3-[(1-methylcyclobutyl)methyl]-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 264.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(1-methylcyclobutyl)methyl]-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 114109735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).