5-bromo-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole

C24H18BrN3 — CID 46890926

IUPAC5-bromo-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
SMILESCc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccccc2)cc1
InChIInChI=1S/C24H18BrN3/c1-15-7-9-17(10-8-15)23-22(16-5-3-2-4-6-16)27-24(28-23)20-14-26-21-12-11-18(25)13-19(20)21/h2-14,26H,1H3,(H,27,28)
InChIKeyMJDBYMNDZZKKCY-UHFFFAOYSA-N
MW428.33 g/mol
LogP6.96
Rot. Bonds3

About 5-bromo-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole

5-bromo-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole (PubChem CID 46890926) has the molecular formula C24H18BrN3 and a molecular weight of 428.33 g/mol. Its IUPAC name is 5-bromo-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
PubChem CID46890926
Molecular FormulaC24H18BrN3
Molecular Weight428.33 g/mol
Exact Mass427.07
IUPAC Name5-bromo-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
SMILESCc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccccc2)cc1
InChIInChI=1S/C24H18BrN3/c1-15-7-9-17(10-8-15)23-22(16-5-3-2-4-6-16)27-24(28-23)20-14-26-21-12-11-18(25)13-19(20)21/h2-14,26H,1H3,(H,27,28)
InChIKeyMJDBYMNDZZKKCY-UHFFFAOYSA-N
XLogP6.96
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.33
LogP ≤ 56.96
H-Bond Donors ≤ 52
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-bromo-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 5-bromo-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole (CID 46890926) is 5-bromo-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 5-bromo-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole is Cc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccccc2)cc1.
What is the InChIKey of 5-bromo-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
The InChIKey is MJDBYMNDZZKKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN3/c1-15-7-9-17(10-8-15)23-22(16-5-3-2-4-6-16)27-24(28-23)20-14-26-21-12-11-18(25)13-19(20)21/h2-14,26H,1H3,(H,27,28).
What are the key properties of 5-bromo-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
5-bromo-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole has a molecular weight of 428.33 g/mol, XLogP of 6.96, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 46890926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).