1,2-dimethyl-4-octylimidazole

C13H24N2 — CID 118062821

IUPAC1,2-dimethyl-4-octylimidazole
SMILESCCCCCCCCc1cn(C)c(C)n1
InChIInChI=1S/C13H24N2/c1-4-5-6-7-8-9-10-13-11-15(3)12(2)14-13/h11H,4-10H2,1-3H3
InChIKeyWXMJDMCYEFFAKF-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.63
Rot. Bonds7

About 1,2-dimethyl-4-octylimidazole

1,2-dimethyl-4-octylimidazole (PubChem CID 118062821) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1,2-dimethyl-4-octylimidazole.

Molecular Properties

Compound Name1,2-dimethyl-4-octylimidazole
PubChem CID118062821
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1,2-dimethyl-4-octylimidazole
SMILESCCCCCCCCc1cn(C)c(C)n1
InChIInChI=1S/C13H24N2/c1-4-5-6-7-8-9-10-13-11-15(3)12(2)14-13/h11H,4-10H2,1-3H3
InChIKeyWXMJDMCYEFFAKF-UHFFFAOYSA-N
XLogP3.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-didecyl-1-methylimidazole
CID 68813551
1,4-didecyl-2-methylimidazole;hydrobromide
CID 173322060
2-methyl-4-undecylimidazole-1-carboxylic acid
CID 150630296
2-heptyl-1-methyl-4-(3-phenylpropyl)imidazole
CID 69392771
2-decyl-1-methyl-4-(3-phenylpropyl)imidazole
CID 69396106
1-heptadecyl-2-methyl-4-(3-phenylpropyl)imidazole
CID 69405660
2-methyl-4,6-dioctylpyrimidine
CID 66935791
4-methyl-2,6-dioctylpyridine
CID 66935754
4,6-didodecyl-2-methylpyrimidine
CID 66935955
2-hexyl-5-methylimidazo[1,2-a]pyridine
CID 102626126
4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide
CID 159360162
2,6-didodecylpyridine
CID 90943274

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-octylimidazole?
The IUPAC name of 1,2-dimethyl-4-octylimidazole (CID 118062821) is 1,2-dimethyl-4-octylimidazole.
What is the SMILES notation for 1,2-dimethyl-4-octylimidazole?
The canonical SMILES for 1,2-dimethyl-4-octylimidazole is CCCCCCCCc1cn(C)c(C)n1.
What is the InChIKey of 1,2-dimethyl-4-octylimidazole?
The InChIKey is WXMJDMCYEFFAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-5-6-7-8-9-10-13-11-15(3)12(2)14-13/h11H,4-10H2,1-3H3.
What are the key properties of 1,2-dimethyl-4-octylimidazole?
1,2-dimethyl-4-octylimidazole has a molecular weight of 208.35 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-octylimidazole is sourced from PubChem (CID 118062821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).