5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one

C13H26N2OS — CID 83257798

IUPAC5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one
SMILESCCCCC1NC(C)N(CC(C)CSC)C1=O
InChIInChI=1S/C13H26N2OS/c1-5-6-7-12-13(16)15(11(3)14-12)8-10(2)9-17-4/h10-12,14H,5-9H2,1-4H3
InChIKeyMALVHWJOBIFHOU-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.32
Rot. Bonds7

About 5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one

5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one (PubChem CID 83257798) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one
PubChem CID83257798
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one
SMILESCCCCC1NC(C)N(CC(C)CSC)C1=O
InChIInChI=1S/C13H26N2OS/c1-5-6-7-12-13(16)15(11(3)14-12)8-10(2)9-17-4/h10-12,14H,5-9H2,1-4H3
InChIKeyMALVHWJOBIFHOU-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83254350
3-(2-methyl-3-methylsulfanylpropyl)-2,5-dipropylimidazolidin-4-one
CID 83256965
5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one
CID 83259831
5-ethyl-3-(2-methyl-3-methylsulfanylpropyl)-2-propylimidazolidin-4-one
CID 83257307
2-cyclopentyl-3-(2-methyl-3-methylsulfanylpropyl)-5-propylimidazolidin-4-one
CID 83256963
5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one
CID 83250992
3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one
CID 83263712
2-methyl-3-(2-methylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83252090
5-butyl-3-[3-(dimethylamino)propyl]-2-methylimidazolidin-4-one
CID 83251042
5-butyl-2-methyl-3-pentan-2-ylimidazolidin-4-one
CID 83239016
5-butyl-2-methyl-3-(4-methylhexan-2-yl)imidazolidin-4-one
CID 83264581
3-(2-methyl-3-methylsulfanylpropyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83257048

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one?
The IUPAC name of 5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one (CID 83257798) is 5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one.
What is the SMILES notation for 5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one?
The canonical SMILES for 5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one is CCCCC1NC(C)N(CC(C)CSC)C1=O.
What is the InChIKey of 5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one?
The InChIKey is MALVHWJOBIFHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-5-6-7-12-13(16)15(11(3)14-12)8-10(2)9-17-4/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one?
5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one has a molecular weight of 258.43 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83257798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).