3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one

C14H22N2OS — CID 83240108

IUPAC3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCC1NC(c2cccs2)N(C(C)CC)C1=O
InChIInChI=1S/C14H22N2OS/c1-4-7-11-14(17)16(10(3)5-2)13(15-11)12-8-6-9-18-12/h6,8-11,13,15H,4-5,7H2,1-3H3
InChIKeyNLGWFCVCSACZKE-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.15
Rot. Bonds5

About 3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one

3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83240108) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83240108
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCC1NC(c2cccs2)N(C(C)CC)C1=O
InChIInChI=1S/C14H22N2OS/c1-4-7-11-14(17)16(10(3)5-2)13(15-11)12-8-6-9-18-12/h6,8-11,13,15H,4-5,7H2,1-3H3
InChIKeyNLGWFCVCSACZKE-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methoxypropan-2-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83239793
3-(1-cyclopentylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83263566
3-butan-2-yl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one
CID 83224947
3-[1-(diethylamino)propan-2-yl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 83252436
3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83262811
3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83255729
3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83239756
3-(1-cyclopropylbutan-2-yl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 83264067
5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83242684
5-butyl-3-(3-methylbutyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83237065
3-[1-(dimethylamino)propan-2-yl]-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83260443
methyl 3-(5-oxo-4-propyl-2-thiophen-2-ylimidazolidin-1-yl)propanoate
CID 83256806

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one (CID 83240108) is 3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one is CCCC1NC(c2cccs2)N(C(C)CC)C1=O.
What is the InChIKey of 3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is NLGWFCVCSACZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-7-11-14(17)16(10(3)5-2)13(15-11)12-8-6-9-18-12/h6,8-11,13,15H,4-5,7H2,1-3H3.
What are the key properties of 3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 266.41 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-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83240108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).