5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole

C23H16BrN3 — CID 1099092

IUPAC5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole
SMILESBrc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c2c1
InChIInChI=1S/C23H16BrN3/c24-17-11-12-20-18(13-17)19(14-25-20)23-26-21(15-7-3-1-4-8-15)22(27-23)16-9-5-2-6-10-16/h1-14,25H,(H,26,27)
InChIKeyOLLZOAQYIWWSFA-UHFFFAOYSA-N
MW414.31 g/mol
LogP6.65
Rot. Bonds3

About 5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole

5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole (PubChem CID 1099092) has the molecular formula C23H16BrN3 and a molecular weight of 414.31 g/mol. Its IUPAC name is 5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole
PubChem CID1099092
Molecular FormulaC23H16BrN3
Molecular Weight414.31 g/mol
Exact Mass413.05
IUPAC Name5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole
SMILESBrc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c2c1
InChIInChI=1S/C23H16BrN3/c24-17-11-12-20-18(13-17)19(14-25-20)23-26-21(15-7-3-1-4-8-15)22(27-23)16-9-5-2-6-10-16/h1-14,25H,(H,26,27)
InChIKeyOLLZOAQYIWWSFA-UHFFFAOYSA-N
XLogP6.65
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.31
LogP ≤ 56.65
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-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole?
The IUPAC name of 5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole (CID 1099092) is 5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole.
What is the SMILES notation for 5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole?
The canonical SMILES for 5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole is Brc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c2c1.
What is the InChIKey of 5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole?
The InChIKey is OLLZOAQYIWWSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrN3/c24-17-11-12-20-18(13-17)19(14-25-20)23-26-21(15-7-3-1-4-8-15)22(27-23)16-9-5-2-6-10-16/h1-14,25H,(H,26,27).
What are the key properties of 5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole?
5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole has a molecular weight of 414.31 g/mol, XLogP of 6.65, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole is sourced from PubChem (CID 1099092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).