4-bromo-2-(4,5-diphenyl-1H-imidazol-2-yl)aniline

C21H16BrN3 — CID 139235827

IUPAC4-bromo-2-(4,5-diphenyl-1H-imidazol-2-yl)aniline
SMILESNc1ccc(Br)cc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C21H16BrN3/c22-16-11-12-18(23)17(13-16)21-24-19(14-7-3-1-4-8-14)20(25-21)15-9-5-2-6-10-15/h1-13H,23H2,(H,24,25)
InChIKeyOXNCUCUQYBPICW-UHFFFAOYSA-N
MW390.28 g/mol
LogP5.76
Rot. Bonds3

About 4-bromo-2-(4,5-diphenyl-1H-imidazol-2-yl)aniline

4-bromo-2-(4,5-diphenyl-1H-imidazol-2-yl)aniline (PubChem CID 139235827) has the molecular formula C21H16BrN3 and a molecular weight of 390.28 g/mol. Its IUPAC name is 4-bromo-2-(4,5-diphenyl-1H-imidazol-2-yl)aniline.

Molecular Properties

Compound Name4-bromo-2-(4,5-diphenyl-1H-imidazol-2-yl)aniline
PubChem CID139235827
Molecular FormulaC21H16BrN3
Molecular Weight390.28 g/mol
Exact Mass389.05
IUPAC Name4-bromo-2-(4,5-diphenyl-1H-imidazol-2-yl)aniline
SMILESNc1ccc(Br)cc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C21H16BrN3/c22-16-11-12-18(23)17(13-16)21-24-19(14-7-3-1-4-8-14)20(25-21)15-9-5-2-6-10-15/h1-13H,23H2,(H,24,25)
InChIKeyOXNCUCUQYBPICW-UHFFFAOYSA-N
XLogP5.76
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.28
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole
CID 146679981
5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 3106859
2-phenanthren-9-yl-4,5-diphenyl-1H-imidazole
CID 54520537
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol
CID 887020
2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole
CID 118411404
4-bromo-2-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol
CID 2247913
5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole
CID 118602056
[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-bromophenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495717
bis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
CID 3106846
4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzaldehyde
CID 88936934

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4,5-diphenyl-1H-imidazol-2-yl)aniline?
The IUPAC name of 4-bromo-2-(4,5-diphenyl-1H-imidazol-2-yl)aniline (CID 139235827) is 4-bromo-2-(4,5-diphenyl-1H-imidazol-2-yl)aniline.
What is the SMILES notation for 4-bromo-2-(4,5-diphenyl-1H-imidazol-2-yl)aniline?
The canonical SMILES for 4-bromo-2-(4,5-diphenyl-1H-imidazol-2-yl)aniline is Nc1ccc(Br)cc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 4-bromo-2-(4,5-diphenyl-1H-imidazol-2-yl)aniline?
The InChIKey is OXNCUCUQYBPICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN3/c22-16-11-12-18(23)17(13-16)21-24-19(14-7-3-1-4-8-14)20(25-21)15-9-5-2-6-10-15/h1-13H,23H2,(H,24,25).
What are the key properties of 4-bromo-2-(4,5-diphenyl-1H-imidazol-2-yl)aniline?
4-bromo-2-(4,5-diphenyl-1H-imidazol-2-yl)aniline has a molecular weight of 390.28 g/mol, XLogP of 5.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4,5-diphenyl-1H-imidazol-2-yl)aniline is sourced from PubChem (CID 139235827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).