5-butan-2-yl-3-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one

C13H20N2OS — CID 83260139

IUPAC5-butan-2-yl-3-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCCC(C)C1NC(c2ccc(C)s2)N(C)C1=O
InChIInChI=1S/C13H20N2OS/c1-5-8(2)11-13(16)15(4)12(14-11)10-7-6-9(3)17-10/h6-8,11-12,14H,5H2,1-4H3
InChIKeyQFRZEWKYXRNFMO-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.53
Rot. Bonds3

About 5-butan-2-yl-3-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one

5-butan-2-yl-3-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one (PubChem CID 83260139) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 5-butan-2-yl-3-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
PubChem CID83260139
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name5-butan-2-yl-3-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCCC(C)C1NC(c2ccc(C)s2)N(C)C1=O
InChIInChI=1S/C13H20N2OS/c1-5-8(2)11-13(16)15(4)12(14-11)10-7-6-9(3)17-10/h6-8,11-12,14H,5H2,1-4H3
InChIKeyQFRZEWKYXRNFMO-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
CID 83245929
5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
CID 83245967
5-butan-2-yl-3-(2-cyclopropylethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83268604
5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
CID 83242674
5-butan-2-yl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one
CID 83262375
3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83256875
5-butan-2-yl-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83267734
3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83245582
5-butan-2-yl-3-methyl-2-propylimidazolidin-4-one
CID 83260057
5-butan-2-yl-3-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83260681
5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83257006
3-(3-methylpentan-2-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one
CID 83247626

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one (CID 83260139) is 5-butan-2-yl-3-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one is CCC(C)C1NC(c2ccc(C)s2)N(C)C1=O.
What is the InChIKey of 5-butan-2-yl-3-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The InChIKey is QFRZEWKYXRNFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-5-8(2)11-13(16)15(4)12(14-11)10-7-6-9(3)17-10/h6-8,11-12,14H,5H2,1-4H3.
What are the key properties of 5-butan-2-yl-3-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
5-butan-2-yl-3-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one has a molecular weight of 252.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83260139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).