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

C10H19IN2 — CID 66955748

IUPAC1-hexyl-2-methyl-1H-imidazol-1-ium iodide
SMILESCCCCCC[NH+]1C=CN=C1C.[I-]
InChIInChI=1S/C10H18N2.HI/c1-3-4-5-6-8-12-9-7-11-10(12)2;/h7,9H,3-6,8H2,1-2H3;1H
InChIKeyJSHCOVFJKFULFP-UHFFFAOYSA-N
MW294.18 g/mol
LogP-1.64
Rot. Bonds5

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

1-hexyl-2-methyl-1H-imidazol-1-ium iodide (PubChem CID 66955748) has the molecular formula C10H19IN2 and a molecular weight of 294.18 g/mol. Its IUPAC name is 1-hexyl-2-methyl-1H-imidazol-1-ium iodide.

Molecular Properties

Compound Name1-hexyl-2-methyl-1H-imidazol-1-ium iodide
PubChem CID66955748
Molecular FormulaC10H19IN2
Molecular Weight294.18 g/mol
Exact Mass294.06
IUPAC Name1-hexyl-2-methyl-1H-imidazol-1-ium iodide
SMILESCCCCCC[NH+]1C=CN=C1C.[I-]
InChIInChI=1S/C10H18N2.HI/c1-3-4-5-6-8-12-9-7-11-10(12)2;/h7,9H,3-6,8H2,1-2H3;1H
InChIKeyJSHCOVFJKFULFP-UHFFFAOYSA-N
XLogP-1.64
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 5-1.64
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

bis(1-decyl-2-methyl-1H-imidazol-1-ium) dibromide
CID 70269111
1-butyl-2-[(1-butyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium
CID 148919358
2-(2-undecyl-1H-imidazol-1-ium-1-yl)ethanol
CID 154174238
2-methyl-1-nonyl-1H-pyrrol-1-ium cyanide
CID 171616022
ethyl sulfate;2-(2-octyl-1H-imidazol-1-ium-1-yl)ethanol
CID 158753035
1-hexadecyl-1H-pyrrol-1-ium chloride
CID 141483333
2-propyl-1-undecyl-1H-pyrrol-1-ium chloride
CID 171615349
1-heptyl-2-propyl-1H-pyrrol-1-ium fluoride
CID 171616133
2-methyl-1-nonyl-1H-pyrrol-1-ium acetate
CID 171616054
sodium;hydride;tridecane
CID 172995973
sodium;octakis(decane);hydride
CID 173398930
hexadecane;pentadecane
CID 159687875

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-methyl-1H-imidazol-1-ium iodide?
The IUPAC name of 1-hexyl-2-methyl-1H-imidazol-1-ium iodide (CID 66955748) is 1-hexyl-2-methyl-1H-imidazol-1-ium iodide.
What is the SMILES notation for 1-hexyl-2-methyl-1H-imidazol-1-ium iodide?
The canonical SMILES for 1-hexyl-2-methyl-1H-imidazol-1-ium iodide is CCCCCC[NH+]1C=CN=C1C.[I-].
What is the InChIKey of 1-hexyl-2-methyl-1H-imidazol-1-ium iodide?
The InChIKey is JSHCOVFJKFULFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.HI/c1-3-4-5-6-8-12-9-7-11-10(12)2;/h7,9H,3-6,8H2,1-2H3;1H.
What are the key properties of 1-hexyl-2-methyl-1H-imidazol-1-ium iodide?
1-hexyl-2-methyl-1H-imidazol-1-ium iodide has a molecular weight of 294.18 g/mol, XLogP of -1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-methyl-1H-imidazol-1-ium iodide is sourced from PubChem (CID 66955748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).