2-(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]-5-propylimidazolidin-4-one

C16H30N2OS — CID 83270568

IUPAC2-(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]-5-propylimidazolidin-4-one
SMILESCCCC1NC(CC(C)C)N(CC2(C)CCCS2)C1=O
InChIInChI=1S/C16H30N2OS/c1-5-7-13-15(19)18(14(17-13)10-12(2)3)11-16(4)8-6-9-20-16/h12-14,17H,5-11H2,1-4H3
InChIKeyMZYAIGLGGXEZOU-UHFFFAOYSA-N
MW298.50 g/mol
LogP3.24
Rot. Bonds6

About 2-(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]-5-propylimidazolidin-4-one

2-(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]-5-propylimidazolidin-4-one (PubChem CID 83270568) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]-5-propylimidazolidin-4-one
PubChem CID83270568
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC Name2-(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]-5-propylimidazolidin-4-one
SMILESCCCC1NC(CC(C)C)N(CC2(C)CCCS2)C1=O
InChIInChI=1S/C16H30N2OS/c1-5-7-13-15(19)18(14(17-13)10-12(2)3)11-16(4)8-6-9-20-16/h12-14,17H,5-11H2,1-4H3
InChIKeyMZYAIGLGGXEZOU-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]imidazolidin-4-one
CID 83268307
3-[[1-(dimethylamino)cyclobutyl]methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 105421083
3-[(2-methylthiolan-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83268306
2-(2-methylpropyl)-3,5-dipropylimidazolidin-4-one
CID 83242530
3-[(1-methylcyclopentyl)methyl]-2,5-bis(2-methylpropyl)imidazolidin-4-one
CID 83262725
5-ethyl-3-[(2-methyloxolan-2-yl)methyl]-2-(2-methylpropyl)imidazolidin-4-one
CID 83271120
2-(2-methylpropyl)-5-propyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83249859
3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83266748
3-(3-methoxypropyl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83243478
2-(2-methylpropyl)-3-(oxan-3-ylmethyl)-5-propylimidazolidin-4-one
CID 83250292
2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one
CID 106000199
3-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83253548

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]-5-propylimidazolidin-4-one?
The IUPAC name of 2-(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]-5-propylimidazolidin-4-one (CID 83270568) is 2-(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]-5-propylimidazolidin-4-one.
What is the SMILES notation for 2-(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]-5-propylimidazolidin-4-one?
The canonical SMILES for 2-(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]-5-propylimidazolidin-4-one is CCCC1NC(CC(C)C)N(CC2(C)CCCS2)C1=O.
What is the InChIKey of 2-(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]-5-propylimidazolidin-4-one?
The InChIKey is MZYAIGLGGXEZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-5-7-13-15(19)18(14(17-13)10-12(2)3)11-16(4)8-6-9-20-16/h12-14,17H,5-11H2,1-4H3.
What are the key properties of 2-(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]-5-propylimidazolidin-4-one?
2-(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]-5-propylimidazolidin-4-one has a molecular weight of 298.50 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]-5-propylimidazolidin-4-one is sourced from PubChem (CID 83270568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).