2-(2,5-dimethylphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one

C17H26N2OS — CID 83263514

IUPAC2-(2,5-dimethylphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2cc(C)ccc2C)N(CCSC)C1=O
InChIInChI=1S/C17H26N2OS/c1-5-6-15-17(20)19(9-10-21-4)16(18-15)14-11-12(2)7-8-13(14)3/h7-8,11,15-16,18H,5-6,9-10H2,1-4H3
InChIKeyUEXGKAKIQRKXSI-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.27
Rot. Bonds6

About 2-(2,5-dimethylphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one

2-(2,5-dimethylphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one (PubChem CID 83263514) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
PubChem CID83263514
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name2-(2,5-dimethylphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2cc(C)ccc2C)N(CCSC)C1=O
InChIInChI=1S/C17H26N2OS/c1-5-6-15-17(20)19(9-10-21-4)16(18-15)14-11-12(2)7-8-13(14)3/h7-8,11,15-16,18H,5-6,9-10H2,1-4H3
InChIKeyUEXGKAKIQRKXSI-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)-5-ethyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257120
2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-3-propylimidazolidin-4-one
CID 83246425
2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
CID 83257869
2-(2,4-dimethylphenyl)-5-ethyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83264334
2-(2,5-dimethylphenyl)-5-methyl-3-propylimidazolidin-4-one
CID 115282112
2-(3-methoxyphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
CID 83263494
2-(2,5-dimethylphenyl)-5-methyl-3-pentylimidazolidin-4-one
CID 83250805
2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one
CID 83246229
2-(2,4-dimethylphenyl)-5-ethyl-3-propylimidazolidin-4-one
CID 83242775
5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83258190
5-ethyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83256953
3-(2-cyclopropylethyl)-2-(3-methylphenyl)-5-propylimidazolidin-4-one
CID 83268438

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one?
The IUPAC name of 2-(2,5-dimethylphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one (CID 83263514) is 2-(2,5-dimethylphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one is CCCC1NC(c2cc(C)ccc2C)N(CCSC)C1=O.
What is the InChIKey of 2-(2,5-dimethylphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one?
The InChIKey is UEXGKAKIQRKXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-5-6-15-17(20)19(9-10-21-4)16(18-15)14-11-12(2)7-8-13(14)3/h7-8,11,15-16,18H,5-6,9-10H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one?
2-(2,5-dimethylphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one has a molecular weight of 306.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one is sourced from PubChem (CID 83263514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).