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

C29H20BrN3 — CID 11420438

IUPAC5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole
SMILESBrc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(-c5ccccc5)cc4)[nH]3)c2c1
InChIInChI=1S/C29H20BrN3/c30-23-15-16-26-24(17-23)25(18-31-26)29-32-27(21-9-5-2-6-10-21)28(33-29)22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-18,31H,(H,32,33)
InChIKeyFSERJCGUYHEAKI-UHFFFAOYSA-N
MW490.40 g/mol
LogP8.32
Rot. Bonds4

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

5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole (PubChem CID 11420438) has the molecular formula C29H20BrN3 and a molecular weight of 490.40 g/mol. Its IUPAC name is 5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole
PubChem CID11420438
Molecular FormulaC29H20BrN3
Molecular Weight490.40 g/mol
Exact Mass489.08
IUPAC Name5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole
SMILESBrc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(-c5ccccc5)cc4)[nH]3)c2c1
InChIInChI=1S/C29H20BrN3/c30-23-15-16-26-24(17-23)25(18-31-26)29-32-27(21-9-5-2-6-10-21)28(33-29)22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-18,31H,(H,32,33)
InChIKeyFSERJCGUYHEAKI-UHFFFAOYSA-N
XLogP8.32
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.40
LogP ≤ 58.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole (CID 11420438) is 5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole is Brc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(-c5ccccc5)cc4)[nH]3)c2c1.
What is the InChIKey of 5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?
The InChIKey is FSERJCGUYHEAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20BrN3/c30-23-15-16-26-24(17-23)25(18-31-26)29-32-27(21-9-5-2-6-10-21)28(33-29)22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-18,31H,(H,32,33).
What are the key properties of 5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?
5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole has a molecular weight of 490.40 g/mol, XLogP of 8.32, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 11420438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).