2-methyl-1-(5-methylhexyl)imidazole

C11H20N2 — CID 166170762

IUPAC2-methyl-1-(5-methylhexyl)imidazole
SMILESCc1nccn1CCCCC(C)C
InChIInChI=1S/C11H20N2/c1-10(2)6-4-5-8-13-9-7-12-11(13)3/h7,9-10H,4-6,8H2,1-3H3
InChIKeyWQSHAKCFQMQXFP-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.02
Rot. Bonds5

About 2-methyl-1-(5-methylhexyl)imidazole

2-methyl-1-(5-methylhexyl)imidazole (PubChem CID 166170762) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-methyl-1-(5-methylhexyl)imidazole.

Molecular Properties

Compound Name2-methyl-1-(5-methylhexyl)imidazole
PubChem CID166170762
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-methyl-1-(5-methylhexyl)imidazole
SMILESCc1nccn1CCCCC(C)C
InChIInChI=1S/C11H20N2/c1-10(2)6-4-5-8-13-9-7-12-11(13)3/h7,9-10H,4-6,8H2,1-3H3
InChIKeyWQSHAKCFQMQXFP-UHFFFAOYSA-N
XLogP3.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.02
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-(6-methylheptyl)imidazole
CID 176869626
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
1-(5,5-dimethylhexyl)-2-methylimidazole
CID 168848889
1-(4-methylpentyl)-2-propylimidazole
CID 83169083
5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide
CID 54508862
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methylhexyl)imidazole?
The IUPAC name of 2-methyl-1-(5-methylhexyl)imidazole (CID 166170762) is 2-methyl-1-(5-methylhexyl)imidazole.
What is the SMILES notation for 2-methyl-1-(5-methylhexyl)imidazole?
The canonical SMILES for 2-methyl-1-(5-methylhexyl)imidazole is Cc1nccn1CCCCC(C)C.
What is the InChIKey of 2-methyl-1-(5-methylhexyl)imidazole?
The InChIKey is WQSHAKCFQMQXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2)6-4-5-8-13-9-7-12-11(13)3/h7,9-10H,4-6,8H2,1-3H3.
What are the key properties of 2-methyl-1-(5-methylhexyl)imidazole?
2-methyl-1-(5-methylhexyl)imidazole has a molecular weight of 180.29 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methylhexyl)imidazole is sourced from PubChem (CID 166170762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).