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

C16H26N2OS — CID 83271256

IUPAC5-(2-methylpropyl)-3-[(4-methylthiophen-3-yl)methyl]-2-propylimidazolidin-4-one
SMILESCCCC1NC(CC(C)C)C(=O)N1Cc1cscc1C
InChIInChI=1S/C16H26N2OS/c1-5-6-15-17-14(7-11(2)3)16(19)18(15)8-13-10-20-9-12(13)4/h9-11,14-15,17H,5-8H2,1-4H3
InChIKeyZDAARVSMHGSMFO-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.53
Rot. Bonds6

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

5-(2-methylpropyl)-3-[(4-methylthiophen-3-yl)methyl]-2-propylimidazolidin-4-one (PubChem CID 83271256) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-[(4-methylthiophen-3-yl)methyl]-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-[(4-methylthiophen-3-yl)methyl]-2-propylimidazolidin-4-one
PubChem CID83271256
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name5-(2-methylpropyl)-3-[(4-methylthiophen-3-yl)methyl]-2-propylimidazolidin-4-one
SMILESCCCC1NC(CC(C)C)C(=O)N1Cc1cscc1C
InChIInChI=1S/C16H26N2OS/c1-5-6-15-17-14(7-11(2)3)16(19)18(15)8-13-10-20-9-12(13)4/h9-11,14-15,17H,5-8H2,1-4H3
InChIKeyZDAARVSMHGSMFO-UHFFFAOYSA-N
XLogP3.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylthiophen-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83271175
5-(2-methylpropyl)-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
CID 83256860
3-(2-butoxyethyl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83253671
3-(cyclohexylmethyl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83244505
5-(2-methylpropyl)-2-propyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazolidin-4-one
CID 83271295
3-(2-methylpropyl)-2,5-dipropylimidazolidin-4-one
CID 83242304
5-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-2-propylimidazolidin-4-one
CID 83248880
3-(2-cyclopentyloxyethyl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83264483
5-ethyl-2-(5-methylthiophen-2-yl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one
CID 83267701
2-(2-methylpropyl)-3,5-dipropylimidazolidin-4-one
CID 83242530
3-(2-methylpentan-3-yl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83247146
3-(2,2-dimethylcyclopropyl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83246068

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-[(4-methylthiophen-3-yl)methyl]-2-propylimidazolidin-4-one?
The IUPAC name of 5-(2-methylpropyl)-3-[(4-methylthiophen-3-yl)methyl]-2-propylimidazolidin-4-one (CID 83271256) is 5-(2-methylpropyl)-3-[(4-methylthiophen-3-yl)methyl]-2-propylimidazolidin-4-one.
What is the SMILES notation for 5-(2-methylpropyl)-3-[(4-methylthiophen-3-yl)methyl]-2-propylimidazolidin-4-one?
The canonical SMILES for 5-(2-methylpropyl)-3-[(4-methylthiophen-3-yl)methyl]-2-propylimidazolidin-4-one is CCCC1NC(CC(C)C)C(=O)N1Cc1cscc1C.
What is the InChIKey of 5-(2-methylpropyl)-3-[(4-methylthiophen-3-yl)methyl]-2-propylimidazolidin-4-one?
The InChIKey is ZDAARVSMHGSMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-5-6-15-17-14(7-11(2)3)16(19)18(15)8-13-10-20-9-12(13)4/h9-11,14-15,17H,5-8H2,1-4H3.
What are the key properties of 5-(2-methylpropyl)-3-[(4-methylthiophen-3-yl)methyl]-2-propylimidazolidin-4-one?
5-(2-methylpropyl)-3-[(4-methylthiophen-3-yl)methyl]-2-propylimidazolidin-4-one has a molecular weight of 294.46 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-[(4-methylthiophen-3-yl)methyl]-2-propylimidazolidin-4-one is sourced from PubChem (CID 83271256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).