1-hexyl-2,4-dimethyl-1H-imidazol-1-ium iodide

C11H21IN2 — CID 66987741

IUPAC1-hexyl-2,4-dimethyl-1H-imidazol-1-ium iodide
SMILESCCCCCC[NH+]1C=C(C)N=C1C.[I-]
InChIInChI=1S/C11H20N2.HI/c1-4-5-6-7-8-13-9-10(2)12-11(13)3;/h9H,4-8H2,1-3H3;1H
InChIKeyJVKYQNKBSRUGAE-UHFFFAOYSA-N
MW308.21 g/mol
LogP-1.25
Rot. Bonds5

About 1-hexyl-2,4-dimethyl-1H-imidazol-1-ium iodide

1-hexyl-2,4-dimethyl-1H-imidazol-1-ium iodide (PubChem CID 66987741) has the molecular formula C11H21IN2 and a molecular weight of 308.21 g/mol. Its IUPAC name is 1-hexyl-2,4-dimethyl-1H-imidazol-1-ium iodide.

Molecular Properties

Compound Name1-hexyl-2,4-dimethyl-1H-imidazol-1-ium iodide
PubChem CID66987741
Molecular FormulaC11H21IN2
Molecular Weight308.21 g/mol
Exact Mass308.07
IUPAC Name1-hexyl-2,4-dimethyl-1H-imidazol-1-ium iodide
SMILESCCCCCC[NH+]1C=C(C)N=C1C.[I-]
InChIInChI=1S/C11H20N2.HI/c1-4-5-6-7-8-13-9-10(2)12-11(13)3;/h9H,4-8H2,1-3H3;1H
InChIKeyJVKYQNKBSRUGAE-UHFFFAOYSA-N
XLogP-1.25
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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'}

Analyze 1-hexyl-2,4-dimethyl-1H-imidazol-1-ium iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide
CID 66764410
1-hexyl-2-methyl-1H-imidazol-1-ium iodide
CID 66955748
1-hexyl-2-methyl-1H-imidazol-1-ium chloride
CID 89895572
1-hexyl-2-methyl-1H-imidazol-1-ium bromide
CID 89895587
2-butyl-1-ethyl-1H-imidazol-1-ium iodide
CID 117643340
1-ethyl-2-octyl-1H-imidazol-1-ium iodide
CID 140656950
1-ethyl-2-hexyl-1H-imidazol-1-ium iodide
CID 140656952
1,2-dipentyl-1H-imidazol-1-ium
CID 148243786
1,2-dibutyl-1H-imidazol-1-ium
CID 148246319
4-hexyl-1,2-dimethyl-1H-imidazol-1-ium
CID 148547557
2,4-dimethyl-1-propyl-1H-imidazol-1-ium
CID 152750235
1-butyl-4-methyl-1H-imidazol-1-ium-2-carbonitrile
CID 154064664

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2,4-dimethyl-1H-imidazol-1-ium iodide?
The IUPAC name of 1-hexyl-2,4-dimethyl-1H-imidazol-1-ium iodide (CID 66987741) is 1-hexyl-2,4-dimethyl-1H-imidazol-1-ium iodide.
What is the SMILES notation for 1-hexyl-2,4-dimethyl-1H-imidazol-1-ium iodide?
The canonical SMILES for 1-hexyl-2,4-dimethyl-1H-imidazol-1-ium iodide is CCCCCC[NH+]1C=C(C)N=C1C.[I-].
What is the InChIKey of 1-hexyl-2,4-dimethyl-1H-imidazol-1-ium iodide?
The InChIKey is JVKYQNKBSRUGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.HI/c1-4-5-6-7-8-13-9-10(2)12-11(13)3;/h9H,4-8H2,1-3H3;1H.
What are the key properties of 1-hexyl-2,4-dimethyl-1H-imidazol-1-ium iodide?
1-hexyl-2,4-dimethyl-1H-imidazol-1-ium iodide has a molecular weight of 308.21 g/mol, XLogP of -1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2,4-dimethyl-1H-imidazol-1-ium iodide is sourced from PubChem (CID 66987741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).