5-bromo-4-hexyl-1,2-diphenylimidazole

C21H23BrN2 — CID 142289117

IUPAC5-bromo-4-hexyl-1,2-diphenylimidazole
SMILESCCCCCCc1nc(-c2ccccc2)n(-c2ccccc2)c1Br
InChIInChI=1S/C21H23BrN2/c1-2-3-4-11-16-19-20(22)24(18-14-9-6-10-15-18)21(23-19)17-12-7-5-8-13-17/h5-10,12-15H,2-4,11,16H2,1H3
InChIKeyBUCVSRJCFIHXHA-UHFFFAOYSA-N
MW383.33 g/mol
LogP6.42
Rot. Bonds7

About 5-bromo-4-hexyl-1,2-diphenylimidazole

5-bromo-4-hexyl-1,2-diphenylimidazole (PubChem CID 142289117) has the molecular formula C21H23BrN2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 5-bromo-4-hexyl-1,2-diphenylimidazole.

Molecular Properties

Compound Name5-bromo-4-hexyl-1,2-diphenylimidazole
PubChem CID142289117
Molecular FormulaC21H23BrN2
Molecular Weight383.33 g/mol
Exact Mass382.10
IUPAC Name5-bromo-4-hexyl-1,2-diphenylimidazole
SMILESCCCCCCc1nc(-c2ccccc2)n(-c2ccccc2)c1Br
InChIInChI=1S/C21H23BrN2/c1-2-3-4-11-16-19-20(22)24(18-14-9-6-10-15-18)21(23-19)17-12-7-5-8-13-17/h5-10,12-15H,2-4,11,16H2,1H3
InChIKeyBUCVSRJCFIHXHA-UHFFFAOYSA-N
XLogP6.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.33
LogP ≤ 56.42
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

2-(5-bromo-4-butyl-2-phenylimidazol-1-yl)propanenitrile
CID 101322766
6-hexoxy-1,2-diphenylbenzimidazole
CID 70171573
1-phenyl-2-tridecylbenzimidazole
CID 24821367
5-(4-butyl-2,5-diphenylimidazol-1-yl)-2H-tetrazole
CID 67848996
1-(4-methylphenyl)-3-octyl-2,5-diphenylpyrrole
CID 23497978
4-chloro-6-hexyl-5-pentyl-2-phenylpyrimidine
CID 10712514
1,1'-biphenyl;hexadecane
CID 173308514
6-heptyl-3-methyl-1,2-diphenylpyridin-4-one
CID 14621388
3-(chloromethyl)-5-hexyl-4-phenyl-1,2,4-triazole
CID 114754349
4-heptadecyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole
CID 175179508
1-[3,5-bis(2,3,4-trihexyl-5-phenylpyrrol-1-yl)phenyl]-2,3,4-trihexyl-5-phenylpyrrole
CID 58130483
1-(2,5-dimethyl-1-phenylimidazol-4-yl)heptan-1-one
CID 11996216

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hexyl-1,2-diphenylimidazole?
The IUPAC name of 5-bromo-4-hexyl-1,2-diphenylimidazole (CID 142289117) is 5-bromo-4-hexyl-1,2-diphenylimidazole.
What is the SMILES notation for 5-bromo-4-hexyl-1,2-diphenylimidazole?
The canonical SMILES for 5-bromo-4-hexyl-1,2-diphenylimidazole is CCCCCCc1nc(-c2ccccc2)n(-c2ccccc2)c1Br.
What is the InChIKey of 5-bromo-4-hexyl-1,2-diphenylimidazole?
The InChIKey is BUCVSRJCFIHXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2/c1-2-3-4-11-16-19-20(22)24(18-14-9-6-10-15-18)21(23-19)17-12-7-5-8-13-17/h5-10,12-15H,2-4,11,16H2,1H3.
What are the key properties of 5-bromo-4-hexyl-1,2-diphenylimidazole?
5-bromo-4-hexyl-1,2-diphenylimidazole has a molecular weight of 383.33 g/mol, XLogP of 6.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hexyl-1,2-diphenylimidazole is sourced from PubChem (CID 142289117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).