1-hexyl-3-methyl-1,2-dihydroimidazol-1-ium iodide

C10H21IN2 — CID 57370684

IUPAC1-hexyl-3-methyl-1,2-dihydroimidazol-1-ium iodide
SMILESCCCCCC[NH+]1C=CN(C)C1.[I-]
InChIInChI=1S/C10H20N2.HI/c1-3-4-5-6-7-12-9-8-11(2)10-12;/h8-9H,3-7,10H2,1-2H3;1H
InChIKeyBZOWMAXZYKBNPP-UHFFFAOYSA-N
MW296.20 g/mol
LogP-2.17
Rot. Bonds5

About 1-hexyl-3-methyl-1,2-dihydroimidazol-1-ium iodide

1-hexyl-3-methyl-1,2-dihydroimidazol-1-ium iodide (PubChem CID 57370684) has the molecular formula C10H21IN2 and a molecular weight of 296.20 g/mol. Its IUPAC name is 1-hexyl-3-methyl-1,2-dihydroimidazol-1-ium iodide.

Molecular Properties

Compound Name1-hexyl-3-methyl-1,2-dihydroimidazol-1-ium iodide
PubChem CID57370684
Molecular FormulaC10H21IN2
Molecular Weight296.20 g/mol
Exact Mass296.07
IUPAC Name1-hexyl-3-methyl-1,2-dihydroimidazol-1-ium iodide
SMILESCCCCCC[NH+]1C=CN(C)C1.[I-]
InChIInChI=1S/C10H20N2.HI/c1-3-4-5-6-7-12-9-8-11(2)10-12;/h8-9H,3-7,10H2,1-2H3;1H
InChIKeyBZOWMAXZYKBNPP-UHFFFAOYSA-N
XLogP-2.17
TPSA7.68 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 ≤ 5-2.17
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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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-methyl-1,2-dihydroimidazol-1-ium iodide?
The IUPAC name of 1-hexyl-3-methyl-1,2-dihydroimidazol-1-ium iodide (CID 57370684) is 1-hexyl-3-methyl-1,2-dihydroimidazol-1-ium iodide.
What is the SMILES notation for 1-hexyl-3-methyl-1,2-dihydroimidazol-1-ium iodide?
The canonical SMILES for 1-hexyl-3-methyl-1,2-dihydroimidazol-1-ium iodide is CCCCCC[NH+]1C=CN(C)C1.[I-].
What is the InChIKey of 1-hexyl-3-methyl-1,2-dihydroimidazol-1-ium iodide?
The InChIKey is BZOWMAXZYKBNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.HI/c1-3-4-5-6-7-12-9-8-11(2)10-12;/h8-9H,3-7,10H2,1-2H3;1H.
What are the key properties of 1-hexyl-3-methyl-1,2-dihydroimidazol-1-ium iodide?
1-hexyl-3-methyl-1,2-dihydroimidazol-1-ium iodide has a molecular weight of 296.20 g/mol, XLogP of -2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-methyl-1,2-dihydroimidazol-1-ium iodide is sourced from PubChem (CID 57370684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).