2,5-bis(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]imidazolidin-4-one

C17H32N2OS — CID 83268307

IUPAC2,5-bis(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]imidazolidin-4-one
SMILESCC(C)CC1NC(CC(C)C)N(CC2(C)CCCS2)C1=O
InChIInChI=1S/C17H32N2OS/c1-12(2)9-14-16(20)19(15(18-14)10-13(3)4)11-17(5)7-6-8-21-17/h12-15,18H,6-11H2,1-5H3
InChIKeyZDGJFNZGNNIKCL-UHFFFAOYSA-N
MW312.52 g/mol
LogP3.49
Rot. Bonds6

About 2,5-bis(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]imidazolidin-4-one

2,5-bis(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]imidazolidin-4-one (PubChem CID 83268307) has the molecular formula C17H32N2OS and a molecular weight of 312.52 g/mol. Its IUPAC name is 2,5-bis(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name2,5-bis(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]imidazolidin-4-one
PubChem CID83268307
Molecular FormulaC17H32N2OS
Molecular Weight312.52 g/mol
Exact Mass312.22
IUPAC Name2,5-bis(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]imidazolidin-4-one
SMILESCC(C)CC1NC(CC(C)C)N(CC2(C)CCCS2)C1=O
InChIInChI=1S/C17H32N2OS/c1-12(2)9-14-16(20)19(15(18-14)10-13(3)4)11-17(5)7-6-8-21-17/h12-15,18H,6-11H2,1-5H3
InChIKeyZDGJFNZGNNIKCL-UHFFFAOYSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]-5-propylimidazolidin-4-one
CID 83270568
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
3-[[1-(dimethylamino)cyclobutyl]methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 105421083
3-(2,2-dimethylpropyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one
CID 83255978
3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one
CID 83254863
3-(2-methoxy-2-methylpropyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one
CID 104767759
3-[(2-methylthiolan-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83268306
1-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 80730835
actinium;(2R,5S)-3-hydroxy-2,5-bis(2-methylpropyl)imidazolidin-4-one
CID 59884006
2-methyl-5-(2-methylpropyl)-3-[(1-methylsulfanylcyclobutyl)methyl]imidazolidin-4-one
CID 114117454
3-ethyl-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83239439

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]imidazolidin-4-one?
The IUPAC name of 2,5-bis(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]imidazolidin-4-one (CID 83268307) is 2,5-bis(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]imidazolidin-4-one.
What is the SMILES notation for 2,5-bis(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]imidazolidin-4-one?
The canonical SMILES for 2,5-bis(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]imidazolidin-4-one is CC(C)CC1NC(CC(C)C)N(CC2(C)CCCS2)C1=O.
What is the InChIKey of 2,5-bis(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]imidazolidin-4-one?
The InChIKey is ZDGJFNZGNNIKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2OS/c1-12(2)9-14-16(20)19(15(18-14)10-13(3)4)11-17(5)7-6-8-21-17/h12-15,18H,6-11H2,1-5H3.
What are the key properties of 2,5-bis(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]imidazolidin-4-one?
2,5-bis(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]imidazolidin-4-one has a molecular weight of 312.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]imidazolidin-4-one is sourced from PubChem (CID 83268307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).