5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one

C17H28N2OS — CID 83245929

IUPAC5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
SMILESCCC(C)C1NC(c2ccc(C)s2)N(C(CC)CC)C1=O
InChIInChI=1S/C17H28N2OS/c1-6-11(4)15-17(20)19(13(7-2)8-3)16(18-15)14-10-9-12(5)21-14/h9-11,13,15-16,18H,6-8H2,1-5H3
InChIKeyLCOYSLFZPVWTPG-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.09
Rot. Bonds6

About 5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one

5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one (PubChem CID 83245929) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
PubChem CID83245929
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
SMILESCCC(C)C1NC(c2ccc(C)s2)N(C(CC)CC)C1=O
InChIInChI=1S/C17H28N2OS/c1-6-11(4)15-17(20)19(13(7-2)8-3)16(18-15)14-10-9-12(5)21-14/h9-11,13,15-16,18H,6-8H2,1-5H3
InChIKeyLCOYSLFZPVWTPG-UHFFFAOYSA-N
XLogP4.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-3-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83260139
5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
CID 83242674
5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
CID 83245967
5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
CID 83245916
5-butan-2-yl-3-(2-cyclopropylethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83268604
3-(3-methylpentan-2-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one
CID 83247626
5-butan-2-yl-3-pentan-3-yl-2-propylimidazolidin-4-one
CID 83241971
3-(1-cyclopropylethyl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244020
3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83256875
5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83264275
3-(1-cyclopropylbutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83264382
3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83247562

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one (CID 83245929) is 5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one is CCC(C)C1NC(c2ccc(C)s2)N(C(CC)CC)C1=O.
What is the InChIKey of 5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one?
The InChIKey is LCOYSLFZPVWTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-6-11(4)15-17(20)19(13(7-2)8-3)16(18-15)14-10-9-12(5)21-14/h9-11,13,15-16,18H,6-8H2,1-5H3.
What are the key properties of 5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one?
5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one has a molecular weight of 308.49 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one is sourced from PubChem (CID 83245929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).