1-ethyl-3-hexyl-1,2-dihydroimidazol-1-ium bromide

C11H23BrN2 — CID 67523423

IUPAC1-ethyl-3-hexyl-1,2-dihydroimidazol-1-ium bromide
SMILESCCCCCCN1C=C[NH+](CC)C1.[Br-]
InChIInChI=1S/C11H22N2.BrH/c1-3-5-6-7-8-13-10-9-12(4-2)11-13;/h9-10H,3-8,11H2,1-2H3;1H
InChIKeyXMEIBRYUYIYJFI-UHFFFAOYSA-N
MW263.22 g/mol
LogP-1.78
Rot. Bonds6

About 1-ethyl-3-hexyl-1,2-dihydroimidazol-1-ium bromide

1-ethyl-3-hexyl-1,2-dihydroimidazol-1-ium bromide (PubChem CID 67523423) has the molecular formula C11H23BrN2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-ethyl-3-hexyl-1,2-dihydroimidazol-1-ium bromide.

Molecular Properties

Compound Name1-ethyl-3-hexyl-1,2-dihydroimidazol-1-ium bromide
PubChem CID67523423
Molecular FormulaC11H23BrN2
Molecular Weight263.22 g/mol
Exact Mass262.10
IUPAC Name1-ethyl-3-hexyl-1,2-dihydroimidazol-1-ium bromide
SMILESCCCCCCN1C=C[NH+](CC)C1.[Br-]
InChIInChI=1S/C11H22N2.BrH/c1-3-5-6-7-8-13-10-9-12(4-2)11-13;/h9-10H,3-8,11H2,1-2H3;1H
InChIKeyXMEIBRYUYIYJFI-UHFFFAOYSA-N
XLogP-1.78
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 5-1.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Hexyl-3-methylimidazole
CID 18513318
1H-Imidazolium, 1-butyl-3-methyl-, bromide
CID 53249772
1-Hexyl-3-vinylimidazole
CID 56998627
1H-Imidazolium, 1-butyl-3-methyl-, chloride
CID 66823030
1H-Imidazolium, 1-hexyl-3-methyl-, chloride
CID 67523375
1H-Imidazolium, 1-methyl-3-octadecyl-, chloride
CID 69670286
1,2-Dimethyl-3-octyl-2,3-dihydro-1H-imidazol-1-ium bromide
CID 71394754
1,3-Didecyl-2-methyl-1,2-dihydroimidazol-1-ium chloride
CID 3018045
1-Methyl-3-octyl-2,3-dihydro-1H-imidazol-1-ium iodide
CID 71353115
1-Methyl-3-pentyl-2,3-dihydro-1H-imidazol-1-ium bromide
CID 71361025
3-Butyl-1-methyl-1,2-dihydroimidazol-1-ium bromide
CID 164511967
1-hexyl-1,3-dihydro-2H-imidazole-2-thione
CID 64183878

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-hexyl-1,2-dihydroimidazol-1-ium bromide?
The IUPAC name of 1-ethyl-3-hexyl-1,2-dihydroimidazol-1-ium bromide (CID 67523423) is 1-ethyl-3-hexyl-1,2-dihydroimidazol-1-ium bromide.
What is the SMILES notation for 1-ethyl-3-hexyl-1,2-dihydroimidazol-1-ium bromide?
The canonical SMILES for 1-ethyl-3-hexyl-1,2-dihydroimidazol-1-ium bromide is CCCCCCN1C=C[NH+](CC)C1.[Br-].
What is the InChIKey of 1-ethyl-3-hexyl-1,2-dihydroimidazol-1-ium bromide?
The InChIKey is XMEIBRYUYIYJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.BrH/c1-3-5-6-7-8-13-10-9-12(4-2)11-13;/h9-10H,3-8,11H2,1-2H3;1H.
What are the key properties of 1-ethyl-3-hexyl-1,2-dihydroimidazol-1-ium bromide?
1-ethyl-3-hexyl-1,2-dihydroimidazol-1-ium bromide has a molecular weight of 263.22 g/mol, XLogP of -1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-hexyl-1,2-dihydroimidazol-1-ium bromide is sourced from PubChem (CID 67523423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).