3-(cyclobutylmethyl)-2-thiophen-2-ylimidazolidin-4-one

C12H16N2OS — CID 83243977

IUPAC3-(cyclobutylmethyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESO=C1CNC(c2cccs2)N1CC1CCC1
InChIInChI=1S/C12H16N2OS/c15-11-7-13-12(10-5-2-6-16-10)14(11)8-9-3-1-4-9/h2,5-6,9,12-13H,1,3-4,7-8H2
InChIKeyYNLJBEYMHAMPHW-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.98
Rot. Bonds3

About 3-(cyclobutylmethyl)-2-thiophen-2-ylimidazolidin-4-one

3-(cyclobutylmethyl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83243977) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83243977
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name3-(cyclobutylmethyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESO=C1CNC(c2cccs2)N1CC1CCC1
InChIInChI=1S/C12H16N2OS/c15-11-7-13-12(10-5-2-6-16-10)14(11)8-9-3-1-4-9/h2,5-6,9,12-13H,1,3-4,7-8H2
InChIKeyYNLJBEYMHAMPHW-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-(cyclobutylmethyl)-2-thiophen-2-ylimidazolidin-4-one (CID 83243977) is 3-(cyclobutylmethyl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(cyclobutylmethyl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(cyclobutylmethyl)-2-thiophen-2-ylimidazolidin-4-one is O=C1CNC(c2cccs2)N1CC1CCC1.
What is the InChIKey of 3-(cyclobutylmethyl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is YNLJBEYMHAMPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c15-11-7-13-12(10-5-2-6-16-10)14(11)8-9-3-1-4-9/h2,5-6,9,12-13H,1,3-4,7-8H2.
What are the key properties of 3-(cyclobutylmethyl)-2-thiophen-2-ylimidazolidin-4-one?
3-(cyclobutylmethyl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 236.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83243977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).