1-ethyl-3-hexyl-2H-imidazole;hydrobromide

C11H23BrN2 — CID 173078365

IUPAC1-ethyl-3-hexyl-2H-imidazole;hydrobromide
SMILESBr.CCCCCCN1C=CN(CC)C1
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
LogP3.21
Rot. Bonds6

About 1-ethyl-3-hexyl-2H-imidazole;hydrobromide

1-ethyl-3-hexyl-2H-imidazole;hydrobromide (PubChem CID 173078365) has the molecular formula C11H23BrN2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-ethyl-3-hexyl-2H-imidazole;hydrobromide.

Molecular Properties

Compound Name1-ethyl-3-hexyl-2H-imidazole;hydrobromide
PubChem CID173078365
Molecular FormulaC11H23BrN2
Molecular Weight263.22 g/mol
Exact Mass262.10
IUPAC Name1-ethyl-3-hexyl-2H-imidazole;hydrobromide
SMILESBr.CCCCCCN1C=CN(CC)C1
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
XLogP3.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-3-ethyl-2H-imidazole
CID 19864130
1-ethyl-3-octyl-2H-imidazole;hydroiodide
CID 173446352
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1,3-di(nonyl)-2H-imidazole
CID 69395396
1-hexyl-3-octadecyl-2H-imidazole
CID 68966514
1-butyl-3-ethyl-2H-imidazole;hydroiodide
CID 173049590

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-hexyl-2H-imidazole;hydrobromide?
The IUPAC name of 1-ethyl-3-hexyl-2H-imidazole;hydrobromide (CID 173078365) is 1-ethyl-3-hexyl-2H-imidazole;hydrobromide.
What is the SMILES notation for 1-ethyl-3-hexyl-2H-imidazole;hydrobromide?
The canonical SMILES for 1-ethyl-3-hexyl-2H-imidazole;hydrobromide is Br.CCCCCCN1C=CN(CC)C1.
What is the InChIKey of 1-ethyl-3-hexyl-2H-imidazole;hydrobromide?
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-2H-imidazole;hydrobromide?
1-ethyl-3-hexyl-2H-imidazole;hydrobromide has a molecular weight of 263.22 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-hexyl-2H-imidazole;hydrobromide is sourced from PubChem (CID 173078365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).