5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole

C22H17BrN2 — CID 3106859

IUPAC5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole
SMILESCc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1
InChIInChI=1S/C22H17BrN2/c1-15-7-9-18(10-8-15)22-24-20(16-5-3-2-4-6-16)21(25-22)17-11-13-19(23)14-12-17/h2-14H,1H3,(H,24,25)
InChIKeyXMOLNNNWILVQOR-UHFFFAOYSA-N
MW389.30 g/mol
LogP6.48
Rot. Bonds3

About 5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole

5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole (PubChem CID 3106859) has the molecular formula C22H17BrN2 and a molecular weight of 389.30 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole
PubChem CID3106859
Molecular FormulaC22H17BrN2
Molecular Weight389.30 g/mol
Exact Mass388.06
IUPAC Name5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole
SMILESCc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1
InChIInChI=1S/C22H17BrN2/c1-15-7-9-18(10-8-15)22-24-20(16-5-3-2-4-6-16)21(25-22)17-11-13-19(23)14-12-17/h2-14H,1H3,(H,24,25)
InChIKeyXMOLNNNWILVQOR-UHFFFAOYSA-N
XLogP6.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.30
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole?
The IUPAC name of 5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole (CID 3106859) is 5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole.
What is the SMILES notation for 5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole?
The canonical SMILES for 5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole is Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole?
The InChIKey is XMOLNNNWILVQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2/c1-15-7-9-18(10-8-15)22-24-20(16-5-3-2-4-6-16)21(25-22)17-11-13-19(23)14-12-17/h2-14H,1H3,(H,24,25).
What are the key properties of 5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole?
5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole has a molecular weight of 389.30 g/mol, XLogP of 6.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole is sourced from PubChem (CID 3106859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).