3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one

C15H22N2OS — CID 83243416

IUPAC3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCC1NC(c2ccsc2)N(CC2CCC2)C1=O
InChIInChI=1S/C15H22N2OS/c1-2-4-13-15(18)17(9-11-5-3-6-11)14(16-13)12-7-8-19-10-12/h7-8,10-11,13-14,16H,2-6,9H2,1H3
InChIKeyRDJFADQTMYEPGD-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.15
Rot. Bonds5

About 3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one

3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83243416) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83243416
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCC1NC(c2ccsc2)N(CC2CCC2)C1=O
InChIInChI=1S/C15H22N2OS/c1-2-4-13-15(18)17(9-11-5-3-6-11)14(16-13)12-7-8-19-10-12/h7-8,10-11,13-14,16H,2-6,9H2,1H3
InChIKeyRDJFADQTMYEPGD-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one (CID 83243416) is 3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one is CCCC1NC(c2ccsc2)N(CC2CCC2)C1=O.
What is the InChIKey of 3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is RDJFADQTMYEPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-4-13-15(18)17(9-11-5-3-6-11)14(16-13)12-7-8-19-10-12/h7-8,10-11,13-14,16H,2-6,9H2,1H3.
What are the key properties of 3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 278.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83243416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).