1-hexyl-3-methylimidazol-3-ium;1-methylimidazole;hydrobromide

C14H26BrN4+ — CID 175577150

IUPAC1-hexyl-3-methylimidazol-3-ium;1-methylimidazole;hydrobromide
SMILESBr.CCCCCCn1cc[n+](C)c1.Cn1ccnc1
InChIInChI=1S/C10H19N2.C4H6N2.BrH/c1-3-4-5-6-7-12-9-8-11(2)10-12;1-6-3-2-5-4-6;/h8-10H,3-7H2,1-2H3;2-4H,1H3;1H/q+1;;
InChIKeyQOZSGCOPQRRPNP-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.89
Rot. Bonds5

About 1-hexyl-3-methylimidazol-3-ium;1-methylimidazole;hydrobromide

1-hexyl-3-methylimidazol-3-ium;1-methylimidazole;hydrobromide (PubChem CID 175577150) has the molecular formula C14H26BrN4+ and a molecular weight of 330.29 g/mol. Its IUPAC name is 1-hexyl-3-methylimidazol-3-ium;1-methylimidazole;hydrobromide.

Molecular Properties

Compound Name1-hexyl-3-methylimidazol-3-ium;1-methylimidazole;hydrobromide
PubChem CID175577150
Molecular FormulaC14H26BrN4+
Molecular Weight330.29 g/mol
Exact Mass329.13
IUPAC Name1-hexyl-3-methylimidazol-3-ium;1-methylimidazole;hydrobromide
SMILESBr.CCCCCCn1cc[n+](C)c1.Cn1ccnc1
InChIInChI=1S/C10H19N2.C4H6N2.BrH/c1-3-4-5-6-7-12-9-8-11(2)10-12;1-6-3-2-5-4-6;/h8-10H,3-7H2,1-2H3;2-4H,1H3;1H/q+1;;
InChIKeyQOZSGCOPQRRPNP-UHFFFAOYSA-N
XLogP2.89
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-heptyl-3-methylimidazol-3-ium chloride
CID 87431779
1-methyl-3-nonadecylimidazol-1-ium chloride
CID 10452646
1-dotetracontyl-3-methylimidazol-3-ium chloride
CID 141281431
1-decyl-3-methylimidazol-3-ium hydroxide
CID 162364634
1-icosyl-3-methylimidazol-3-ium bromide
CID 141143655
1-methyl-3-pentylimidazol-1-ium iodide
CID 11403236
1-methyl-3-[8-(3-methylimidazol-3-ium-1-yl)octyl]imidazol-1-ium;hydrobromide
CID 135325512
1-methyl-3-[15-(3-methylimidazol-3-ium-1-yl)pentadecyl]imidazol-1-ium dichloride
CID 71525194
1-dodecyl-3-methylimidazol-3-ium tetrafluoroborate
CID 46226173
1-decyl-3-methylimidazol-3-ium;rhodium;tetrafluoroborate
CID 11269922
heptakis(1-hexyl-3-methylimidazol-3-ium);borate;tetrafluoride
CID 175093615
1-butyl-3-methylimidazol-3-ium;tetrahydrate
CID 175081123

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-methylimidazol-3-ium;1-methylimidazole;hydrobromide?
The IUPAC name of 1-hexyl-3-methylimidazol-3-ium;1-methylimidazole;hydrobromide (CID 175577150) is 1-hexyl-3-methylimidazol-3-ium;1-methylimidazole;hydrobromide.
What is the SMILES notation for 1-hexyl-3-methylimidazol-3-ium;1-methylimidazole;hydrobromide?
The canonical SMILES for 1-hexyl-3-methylimidazol-3-ium;1-methylimidazole;hydrobromide is Br.CCCCCCn1cc[n+](C)c1.Cn1ccnc1.
What is the InChIKey of 1-hexyl-3-methylimidazol-3-ium;1-methylimidazole;hydrobromide?
The InChIKey is QOZSGCOPQRRPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2.C4H6N2.BrH/c1-3-4-5-6-7-12-9-8-11(2)10-12;1-6-3-2-5-4-6;/h8-10H,3-7H2,1-2H3;2-4H,1H3;1H/q+1;;.
What are the key properties of 1-hexyl-3-methylimidazol-3-ium;1-methylimidazole;hydrobromide?
1-hexyl-3-methylimidazol-3-ium;1-methylimidazole;hydrobromide has a molecular weight of 330.29 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-methylimidazol-3-ium;1-methylimidazole;hydrobromide is sourced from PubChem (CID 175577150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).