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

C10H21IN2+2 — CID 162258984

IUPACiodanium 2-hexyl-1-methyl-1H-imidazol-1-ium
SMILESCCCCCCC1=NC=C[NH+]1C.[IH2+]
InChIInChI=1S/C10H18N2.H2I/c1-3-4-5-6-7-10-11-8-9-12(10)2;/h8-9H,3-7H2,1-2H3;1H2/q;+1/p+1
InChIKeyGTFICLDXUOJMFW-UHFFFAOYSA-O
MW296.20 g/mol
LogP-2.18
Rot. Bonds5

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

iodanium 2-hexyl-1-methyl-1H-imidazol-1-ium (PubChem CID 162258984) has the molecular formula C10H21IN2+2 and a molecular weight of 296.20 g/mol. Its IUPAC name is iodanium 2-hexyl-1-methyl-1H-imidazol-1-ium.

Molecular Properties

Compound Nameiodanium 2-hexyl-1-methyl-1H-imidazol-1-ium
PubChem CID162258984
Molecular FormulaC10H21IN2+2
Molecular Weight296.20 g/mol
Exact Mass296.07
IUPAC Nameiodanium 2-hexyl-1-methyl-1H-imidazol-1-ium
SMILESCCCCCCC1=NC=C[NH+]1C.[IH2+]
InChIInChI=1S/C10H18N2.H2I/c1-3-4-5-6-7-10-11-8-9-12(10)2;/h8-9H,3-7H2,1-2H3;1H2/q;+1/p+1
InChIKeyGTFICLDXUOJMFW-UHFFFAOYSA-O
XLogP-2.18
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 5-2.18
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

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-methyl-2-propyl-1H-imidazol-1-ium iodide
CID 66955139
1-hexyl-2-methyl-1H-imidazol-1-ium iodide
CID 66955748
2-Hexyl-1,1-dimethylimidazol-1-ium iodide
CID 66987737
2-Heptyl-1,1-dimethylimidazol-1-ium
CID 67205540

Frequently Asked Questions

What is the IUPAC name of iodanium 2-hexyl-1-methyl-1H-imidazol-1-ium?
The IUPAC name of iodanium 2-hexyl-1-methyl-1H-imidazol-1-ium (CID 162258984) is iodanium 2-hexyl-1-methyl-1H-imidazol-1-ium.
What is the SMILES notation for iodanium 2-hexyl-1-methyl-1H-imidazol-1-ium?
The canonical SMILES for iodanium 2-hexyl-1-methyl-1H-imidazol-1-ium is CCCCCCC1=NC=C[NH+]1C.[IH2+].
What is the InChIKey of iodanium 2-hexyl-1-methyl-1H-imidazol-1-ium?
The InChIKey is GTFICLDXUOJMFW-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18N2.H2I/c1-3-4-5-6-7-10-11-8-9-12(10)2;/h8-9H,3-7H2,1-2H3;1H2/q;+1/p+1.
What are the key properties of iodanium 2-hexyl-1-methyl-1H-imidazol-1-ium?
iodanium 2-hexyl-1-methyl-1H-imidazol-1-ium has a molecular weight of 296.20 g/mol, XLogP of -2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodanium 2-hexyl-1-methyl-1H-imidazol-1-ium is sourced from PubChem (CID 162258984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).