2-(2,3-dimethylpentan-3-yl)-1,4,5-trimethylimidazole

C13H24N2 — CID 20677831

IUPAC2-(2,3-dimethylpentan-3-yl)-1,4,5-trimethylimidazole
SMILESCCC(C)(c1nc(C)c(C)n1C)C(C)C
InChIInChI=1S/C13H24N2/c1-8-13(6,9(2)3)12-14-10(4)11(5)15(12)7/h9H,8H2,1-7H3
InChIKeyQARDEJGPPAQFOK-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.36
Rot. Bonds3

About 2-(2,3-dimethylpentan-3-yl)-1,4,5-trimethylimidazole

2-(2,3-dimethylpentan-3-yl)-1,4,5-trimethylimidazole (PubChem CID 20677831) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-(2,3-dimethylpentan-3-yl)-1,4,5-trimethylimidazole.

Molecular Properties

Compound Name2-(2,3-dimethylpentan-3-yl)-1,4,5-trimethylimidazole
PubChem CID20677831
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-(2,3-dimethylpentan-3-yl)-1,4,5-trimethylimidazole
SMILESCCC(C)(c1nc(C)c(C)n1C)C(C)C
InChIInChI=1S/C13H24N2/c1-8-13(6,9(2)3)12-14-10(4)11(5)15(12)7/h9H,8H2,1-7H3
InChIKeyQARDEJGPPAQFOK-UHFFFAOYSA-N
XLogP3.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,4,5-Tetramethyl-1H-imidazole
CID 74444
1,2,3,4,5-Pentamethylimidazol-1-ium
CID 11032788
1-Ethyl trimethylimidazole
CID 24871657
N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine
CID 131902929
6-Tert-butyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 166507352
2-Tert-butyl-1,5-dimethyl-4-(trifluoromethyl)imidazole
CID 169322162
2-Tert-butyl-1,4-dimethyl-5-(trifluoromethyl)imidazole
CID 169322166
1,5-Dimethyl-2-propan-2-yl-4-(trifluoromethyl)imidazole
CID 170364519
1-Ethyl-2-isopropyl-3-methyl-4,5-dimethylimidazolium iodide
CID 129830153
1-Ethyl-2-methyl-3-methyl-4,5-dimethylimidazolium iodide
CID 129830162
1-Ethyl-2,3,4,5-tetramethylimidazol-3-ium chloride
CID 139176860
2-[(2R)-1-tert-butyl-3,3,5,5-tetramethylpyrrolidin-2-yl]-4,5-dimethyl-1-propan-2-ylimidazole
CID 168328106

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpentan-3-yl)-1,4,5-trimethylimidazole?
The IUPAC name of 2-(2,3-dimethylpentan-3-yl)-1,4,5-trimethylimidazole (CID 20677831) is 2-(2,3-dimethylpentan-3-yl)-1,4,5-trimethylimidazole.
What is the SMILES notation for 2-(2,3-dimethylpentan-3-yl)-1,4,5-trimethylimidazole?
The canonical SMILES for 2-(2,3-dimethylpentan-3-yl)-1,4,5-trimethylimidazole is CCC(C)(c1nc(C)c(C)n1C)C(C)C.
What is the InChIKey of 2-(2,3-dimethylpentan-3-yl)-1,4,5-trimethylimidazole?
The InChIKey is QARDEJGPPAQFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-8-13(6,9(2)3)12-14-10(4)11(5)15(12)7/h9H,8H2,1-7H3.
What are the key properties of 2-(2,3-dimethylpentan-3-yl)-1,4,5-trimethylimidazole?
2-(2,3-dimethylpentan-3-yl)-1,4,5-trimethylimidazole has a molecular weight of 208.35 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpentan-3-yl)-1,4,5-trimethylimidazole is sourced from PubChem (CID 20677831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).