1-octyl-3-(2,4,6-trimethylphenyl)-2H-imidazole;hydrobromide

C20H33BrN2 — CID 173052661

IUPAC1-octyl-3-(2,4,6-trimethylphenyl)-2H-imidazole;hydrobromide
SMILESBr.CCCCCCCCN1C=CN(c2c(C)cc(C)cc2C)C1
InChIInChI=1S/C20H32N2.BrH/c1-5-6-7-8-9-10-11-21-12-13-22(16-21)20-18(3)14-17(2)15-19(20)4;/h12-15H,5-11,16H2,1-4H3;1H
InChIKeyJBYVPQLSACCMLG-UHFFFAOYSA-N
MW381.40 g/mol
LogP6.10
Rot. Bonds8

About 1-octyl-3-(2,4,6-trimethylphenyl)-2H-imidazole;hydrobromide

1-octyl-3-(2,4,6-trimethylphenyl)-2H-imidazole;hydrobromide (PubChem CID 173052661) has the molecular formula C20H33BrN2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 1-octyl-3-(2,4,6-trimethylphenyl)-2H-imidazole;hydrobromide.

Molecular Properties

Compound Name1-octyl-3-(2,4,6-trimethylphenyl)-2H-imidazole;hydrobromide
PubChem CID173052661
Molecular FormulaC20H33BrN2
Molecular Weight381.40 g/mol
Exact Mass380.18
IUPAC Name1-octyl-3-(2,4,6-trimethylphenyl)-2H-imidazole;hydrobromide
SMILESBr.CCCCCCCCN1C=CN(c2c(C)cc(C)cc2C)C1
InChIInChI=1S/C20H32N2.BrH/c1-5-6-7-8-9-10-11-21-12-13-22(16-21)20-18(3)14-17(2)15-19(20)4;/h12-15H,5-11,16H2,1-4H3;1H
InChIKeyJBYVPQLSACCMLG-UHFFFAOYSA-N
XLogP6.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.40
LogP ≤ 56.10
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

3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]propan-1-ol
CID 5255189
1-hexyl-3-(4-methylphenyl)-2H-imidazole;hydrobromide
CID 173052781
1-hexyl-3-(4-methylphenyl)-2H-imidazole
CID 123548074
1-heptyl-3-(4-methylphenyl)-2H-imidazole
CID 174947129
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

Frequently Asked Questions

What is the IUPAC name of 1-octyl-3-(2,4,6-trimethylphenyl)-2H-imidazole;hydrobromide?
The IUPAC name of 1-octyl-3-(2,4,6-trimethylphenyl)-2H-imidazole;hydrobromide (CID 173052661) is 1-octyl-3-(2,4,6-trimethylphenyl)-2H-imidazole;hydrobromide.
What is the SMILES notation for 1-octyl-3-(2,4,6-trimethylphenyl)-2H-imidazole;hydrobromide?
The canonical SMILES for 1-octyl-3-(2,4,6-trimethylphenyl)-2H-imidazole;hydrobromide is Br.CCCCCCCCN1C=CN(c2c(C)cc(C)cc2C)C1.
What is the InChIKey of 1-octyl-3-(2,4,6-trimethylphenyl)-2H-imidazole;hydrobromide?
The InChIKey is JBYVPQLSACCMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2.BrH/c1-5-6-7-8-9-10-11-21-12-13-22(16-21)20-18(3)14-17(2)15-19(20)4;/h12-15H,5-11,16H2,1-4H3;1H.
What are the key properties of 1-octyl-3-(2,4,6-trimethylphenyl)-2H-imidazole;hydrobromide?
1-octyl-3-(2,4,6-trimethylphenyl)-2H-imidazole;hydrobromide has a molecular weight of 381.40 g/mol, XLogP of 6.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-3-(2,4,6-trimethylphenyl)-2H-imidazole;hydrobromide is sourced from PubChem (CID 173052661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).