1-hexyl-3-(4-methylphenyl)-2H-imidazole;hydrobromide

C16H25BrN2 — CID 173052781

IUPAC1-hexyl-3-(4-methylphenyl)-2H-imidazole;hydrobromide
SMILESBr.CCCCCCN1C=CN(c2ccc(C)cc2)C1
InChIInChI=1S/C16H24N2.BrH/c1-3-4-5-6-11-17-12-13-18(14-17)16-9-7-15(2)8-10-16;/h7-10,12-13H,3-6,11,14H2,1-2H3;1H
InChIKeyGLTKKHYEHRGKIZ-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.70
Rot. Bonds6

About 1-hexyl-3-(4-methylphenyl)-2H-imidazole;hydrobromide

1-hexyl-3-(4-methylphenyl)-2H-imidazole;hydrobromide (PubChem CID 173052781) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-hexyl-3-(4-methylphenyl)-2H-imidazole;hydrobromide.

Molecular Properties

Compound Name1-hexyl-3-(4-methylphenyl)-2H-imidazole;hydrobromide
PubChem CID173052781
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-hexyl-3-(4-methylphenyl)-2H-imidazole;hydrobromide
SMILESBr.CCCCCCN1C=CN(c2ccc(C)cc2)C1
InChIInChI=1S/C16H24N2.BrH/c1-3-4-5-6-11-17-12-13-18(14-17)16-9-7-15(2)8-10-16;/h7-10,12-13H,3-6,11,14H2,1-2H3;1H
InChIKeyGLTKKHYEHRGKIZ-UHFFFAOYSA-N
XLogP4.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-3-(4-methylphenyl)-2H-imidazole
CID 123548074
1-heptyl-3-(4-methylphenyl)-2H-imidazole
CID 174947129
1-(4-bromophenyl)-3-hexyl-2H-imidazole
CID 71246087
1-octyl-3-phenyl-2H-imidazole
CID 69387944
1-octyl-3-(2,4,6-trimethylphenyl)-2H-imidazole;hydrobromide
CID 173052661
1-butyl-3-(4-ethoxyphenyl)-2H-imidazole;hydrobromide
CID 173052685
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-(4-methylphenyl)-2H-imidazole;hydrobromide?
The IUPAC name of 1-hexyl-3-(4-methylphenyl)-2H-imidazole;hydrobromide (CID 173052781) is 1-hexyl-3-(4-methylphenyl)-2H-imidazole;hydrobromide.
What is the SMILES notation for 1-hexyl-3-(4-methylphenyl)-2H-imidazole;hydrobromide?
The canonical SMILES for 1-hexyl-3-(4-methylphenyl)-2H-imidazole;hydrobromide is Br.CCCCCCN1C=CN(c2ccc(C)cc2)C1.
What is the InChIKey of 1-hexyl-3-(4-methylphenyl)-2H-imidazole;hydrobromide?
The InChIKey is GLTKKHYEHRGKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2.BrH/c1-3-4-5-6-11-17-12-13-18(14-17)16-9-7-15(2)8-10-16;/h7-10,12-13H,3-6,11,14H2,1-2H3;1H.
What are the key properties of 1-hexyl-3-(4-methylphenyl)-2H-imidazole;hydrobromide?
1-hexyl-3-(4-methylphenyl)-2H-imidazole;hydrobromide has a molecular weight of 325.29 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-(4-methylphenyl)-2H-imidazole;hydrobromide is sourced from PubChem (CID 173052781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).