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

C29H19BrClN3 — CID 11386913

IUPAC5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole
SMILESClc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C29H19BrClN3/c30-22-12-15-26-24(16-22)25(17-32-26)29-33-27(28(34-29)21-10-13-23(31)14-11-21)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-17,32H,(H,33,34)
InChIKeyJVBZGEQYUFVBAR-UHFFFAOYSA-N
MW524.85 g/mol
LogP8.97
Rot. Bonds4

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

5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole (PubChem CID 11386913) has the molecular formula C29H19BrClN3 and a molecular weight of 524.85 g/mol. Its IUPAC name is 5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole
PubChem CID11386913
Molecular FormulaC29H19BrClN3
Molecular Weight524.85 g/mol
Exact Mass523.05
IUPAC Name5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole
SMILESClc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C29H19BrClN3/c30-22-12-15-26-24(16-22)25(17-32-26)29-33-27(28(34-29)21-10-13-23(31)14-11-21)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-17,32H,(H,33,34)
InChIKeyJVBZGEQYUFVBAR-UHFFFAOYSA-N
XLogP8.97
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.85
LogP ≤ 58.97
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-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole (CID 11386913) is 5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole is Clc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?
The InChIKey is JVBZGEQYUFVBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19BrClN3/c30-22-12-15-26-24(16-22)25(17-32-26)29-33-27(28(34-29)21-10-13-23(31)14-11-21)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-17,32H,(H,33,34).
What are the key properties of 5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?
5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole has a molecular weight of 524.85 g/mol, XLogP of 8.97, 4 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-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 11386913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).