1-ethyl-2-hexyl-1H-imidazol-1-ium iodide

C11H21IN2 — CID 140656952

IUPAC1-ethyl-2-hexyl-1H-imidazol-1-ium iodide
SMILESCCCCCCC1=NC=C[NH+]1CC.[I-]
InChIInChI=1S/C11H20N2.HI/c1-3-5-6-7-8-11-12-9-10-13(11)4-2;/h9-10H,3-8H2,1-2H3;1H
InChIKeyUHNRFODKYRWVEJ-UHFFFAOYSA-N
MW308.21 g/mol
LogP-1.25
Rot. Bonds6

About 1-ethyl-2-hexyl-1H-imidazol-1-ium iodide

1-ethyl-2-hexyl-1H-imidazol-1-ium iodide (PubChem CID 140656952) has the molecular formula C11H21IN2 and a molecular weight of 308.21 g/mol. Its IUPAC name is 1-ethyl-2-hexyl-1H-imidazol-1-ium iodide.

Molecular Properties

Compound Name1-ethyl-2-hexyl-1H-imidazol-1-ium iodide
PubChem CID140656952
Molecular FormulaC11H21IN2
Molecular Weight308.21 g/mol
Exact Mass308.07
IUPAC Name1-ethyl-2-hexyl-1H-imidazol-1-ium iodide
SMILESCCCCCCC1=NC=C[NH+]1CC.[I-]
InChIInChI=1S/C11H20N2.HI/c1-3-5-6-7-8-11-12-9-10-13(11)4-2;/h9-10H,3-8H2,1-2H3;1H
InChIKeyUHNRFODKYRWVEJ-UHFFFAOYSA-N
XLogP-1.25
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-undecyl-1H-imidazol-1-ium-1-yl)propanenitrile
CID 18786239
1-heptyl-1H-imidazol-1-ium iodide
CID 22476655
2-methyl-1-octyl-1H-imidazol-1-ium chloride
CID 66602370
2-butyl-1-methyl-1H-imidazol-1-ium chloride
CID 66620565
2-butyl-1-methyl-1H-imidazol-1-ium bromide
CID 66620666
2-hexyl-1-methyl-1H-imidazol-1-ium iodide
CID 66652284
2-butyl-1-methyl-1H-imidazol-1-ium iodide
CID 66714320
1-octyl-1H-imidazol-1-ium iodide
CID 66863776
2-butyl-1-methyl-1H-imidazol-1-ium hydroxide
CID 66932678
1-butyl-2-methyl-1H-imidazol-1-ium iodide
CID 66955234
1-hexyl-2-methyl-1H-imidazol-1-ium iodide
CID 66955748
2-Hexyl-1,1-dimethylimidazol-1-ium iodide
CID 66987737

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-hexyl-1H-imidazol-1-ium iodide?
The IUPAC name of 1-ethyl-2-hexyl-1H-imidazol-1-ium iodide (CID 140656952) is 1-ethyl-2-hexyl-1H-imidazol-1-ium iodide.
What is the SMILES notation for 1-ethyl-2-hexyl-1H-imidazol-1-ium iodide?
The canonical SMILES for 1-ethyl-2-hexyl-1H-imidazol-1-ium iodide is CCCCCCC1=NC=C[NH+]1CC.[I-].
What is the InChIKey of 1-ethyl-2-hexyl-1H-imidazol-1-ium iodide?
The InChIKey is UHNRFODKYRWVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.HI/c1-3-5-6-7-8-11-12-9-10-13(11)4-2;/h9-10H,3-8H2,1-2H3;1H.
What are the key properties of 1-ethyl-2-hexyl-1H-imidazol-1-ium iodide?
1-ethyl-2-hexyl-1H-imidazol-1-ium iodide has a molecular weight of 308.21 g/mol, XLogP of -1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-hexyl-1H-imidazol-1-ium iodide is sourced from PubChem (CID 140656952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).