1-decyl-1H-imidazol-1-ium bromide

C13H25BrN2 — CID 23075134

IUPAC1-decyl-1H-imidazol-1-ium bromide
SMILESCCCCCCCCCC[NH+]1C=CN=C1.[Br-]
InChIInChI=1S/C13H24N2.BrH/c1-2-3-4-5-6-7-8-9-11-15-12-10-14-13-15;/h10,12-13H,2-9,11H2,1H3;1H
InChIKeyKPKILNBFCCXGPE-UHFFFAOYSA-N
MW289.26 g/mol
LogP-0.47
Rot. Bonds9

About 1-decyl-1H-imidazol-1-ium bromide

1-decyl-1H-imidazol-1-ium bromide (PubChem CID 23075134) has the molecular formula C13H25BrN2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-decyl-1H-imidazol-1-ium bromide.

Molecular Properties

Compound Name1-decyl-1H-imidazol-1-ium bromide
PubChem CID23075134
Molecular FormulaC13H25BrN2
Molecular Weight289.26 g/mol
Exact Mass288.12
IUPAC Name1-decyl-1H-imidazol-1-ium bromide
SMILESCCCCCCCCCC[NH+]1C=CN=C1.[Br-]
InChIInChI=1S/C13H24N2.BrH/c1-2-3-4-5-6-7-8-9-11-15-12-10-14-13-15;/h10,12-13H,2-9,11H2,1H3;1H
InChIKeyKPKILNBFCCXGPE-UHFFFAOYSA-N
XLogP-0.47
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 5-0.47
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-1-methyl-1h-imidazol-1-ium bromide
CID 67392062
1-Dodecyl-1-methyl-imidazolium bromide
CID 129744289
1-butyl-1H-imidazol-1-ium bromide
CID 66978243
1-dodecyl-1H-imidazol-1-ium chloride
CID 11737372
1-octyl-1H-imidazol-1-ium chloride
CID 15801194
1-decyl-1H-imidazol-1-ium
CID 17841393
1-Ethenyl-1-hexadecylimidazol-1-ium bromide
CID 18347771
1-Dodecyl-1-ethenylimidazol-1-ium bromide
CID 18347773
1-pentyl-1H-imidazol-1-ium iodide
CID 21977612
1-pentyl-1H-imidazol-1-ium
CID 22342452
1-heptyl-1H-imidazol-1-ium iodide
CID 22476655
1-pentyl-1H-imidazol-1-ium bromide
CID 22564389

Frequently Asked Questions

What is the IUPAC name of 1-decyl-1H-imidazol-1-ium bromide?
The IUPAC name of 1-decyl-1H-imidazol-1-ium bromide (CID 23075134) is 1-decyl-1H-imidazol-1-ium bromide.
What is the SMILES notation for 1-decyl-1H-imidazol-1-ium bromide?
The canonical SMILES for 1-decyl-1H-imidazol-1-ium bromide is CCCCCCCCCC[NH+]1C=CN=C1.[Br-].
What is the InChIKey of 1-decyl-1H-imidazol-1-ium bromide?
The InChIKey is KPKILNBFCCXGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2.BrH/c1-2-3-4-5-6-7-8-9-11-15-12-10-14-13-15;/h10,12-13H,2-9,11H2,1H3;1H.
What are the key properties of 1-decyl-1H-imidazol-1-ium bromide?
1-decyl-1H-imidazol-1-ium bromide has a molecular weight of 289.26 g/mol, XLogP of -0.47, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-1H-imidazol-1-ium bromide is sourced from PubChem (CID 23075134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).