2-methyl-1-(6-methylheptyl)imidazole

C12H22N2 — CID 176869626

IUPAC2-methyl-1-(6-methylheptyl)imidazole
SMILESCc1nccn1CCCCCC(C)C
InChIInChI=1S/C12H22N2/c1-11(2)7-5-4-6-9-14-10-8-13-12(14)3/h8,10-11H,4-7,9H2,1-3H3
InChIKeyWSEOMJXEJSVVLX-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.41
Rot. Bonds6

About 2-methyl-1-(6-methylheptyl)imidazole

2-methyl-1-(6-methylheptyl)imidazole (PubChem CID 176869626) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-methyl-1-(6-methylheptyl)imidazole.

Molecular Properties

Compound Name2-methyl-1-(6-methylheptyl)imidazole
PubChem CID176869626
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-methyl-1-(6-methylheptyl)imidazole
SMILESCc1nccn1CCCCCC(C)C
InChIInChI=1S/C12H22N2/c1-11(2)7-5-4-6-9-14-10-8-13-12(14)3/h8,10-11H,4-7,9H2,1-3H3
InChIKeyWSEOMJXEJSVVLX-UHFFFAOYSA-N
XLogP3.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.41
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-methyl-1-(5-methylhexyl)imidazole
CID 166170762
2-methyl-1-(4-methylpentyl)imidazole
CID 20811797
2-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-(7-methyloctyl)guanidine;hydroiodide
CID 111773389
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
2-methyl-1-octylimidazole;hydrate
CID 174602652
1-(16-fluorohexadecyl)-2-methylimidazole
CID 164834559
fluoroform;1-hexyl-2-methylimidazole
CID 174860235
6-(2-methylimidazol-1-yl)hexan-3-ol
CID 106802505
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527
1-(5,5-dimethylhexyl)-2-methylimidazole
CID 168848889
1-(4-methylpentyl)-2-propylimidazole
CID 83169083
2-methyl-1-octadec-9-enylimidazole
CID 54514402

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-methylheptyl)imidazole?
The IUPAC name of 2-methyl-1-(6-methylheptyl)imidazole (CID 176869626) is 2-methyl-1-(6-methylheptyl)imidazole.
What is the SMILES notation for 2-methyl-1-(6-methylheptyl)imidazole?
The canonical SMILES for 2-methyl-1-(6-methylheptyl)imidazole is Cc1nccn1CCCCCC(C)C.
What is the InChIKey of 2-methyl-1-(6-methylheptyl)imidazole?
The InChIKey is WSEOMJXEJSVVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11(2)7-5-4-6-9-14-10-8-13-12(14)3/h8,10-11H,4-7,9H2,1-3H3.
What are the key properties of 2-methyl-1-(6-methylheptyl)imidazole?
2-methyl-1-(6-methylheptyl)imidazole has a molecular weight of 194.32 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-methylheptyl)imidazole is sourced from PubChem (CID 176869626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).