5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole

C27H18BrN3 — CID 58882251

IUPAC5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole
SMILESBrc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4cccc5ccccc45)[nH]3)c2c1
InChIInChI=1S/C27H18BrN3/c28-19-13-14-24-22(15-19)23(16-29-24)27-30-25(18-8-2-1-3-9-18)26(31-27)21-12-6-10-17-7-4-5-11-20(17)21/h1-16,29H,(H,30,31)
InChIKeyAGAWFPYWYWXHDC-UHFFFAOYSA-N
MW464.37 g/mol
LogP7.81
Rot. Bonds3

About 5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole

5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole (PubChem CID 58882251) has the molecular formula C27H18BrN3 and a molecular weight of 464.37 g/mol. Its IUPAC name is 5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole
PubChem CID58882251
Molecular FormulaC27H18BrN3
Molecular Weight464.37 g/mol
Exact Mass463.07
IUPAC Name5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole
SMILESBrc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4cccc5ccccc45)[nH]3)c2c1
InChIInChI=1S/C27H18BrN3/c28-19-13-14-24-22(15-19)23(16-29-24)27-30-25(18-8-2-1-3-9-18)26(31-27)21-12-6-10-17-7-4-5-11-20(17)21/h1-16,29H,(H,30,31)
InChIKeyAGAWFPYWYWXHDC-UHFFFAOYSA-N
XLogP7.81
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.37
LogP ≤ 57.81
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-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole?
The IUPAC name of 5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole (CID 58882251) is 5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole.
What is the SMILES notation for 5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole?
The canonical SMILES for 5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole is Brc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4cccc5ccccc45)[nH]3)c2c1.
What is the InChIKey of 5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole?
The InChIKey is AGAWFPYWYWXHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18BrN3/c28-19-13-14-24-22(15-19)23(16-29-24)27-30-25(18-8-2-1-3-9-18)26(31-27)21-12-6-10-17-7-4-5-11-20(17)21/h1-16,29H,(H,30,31).
What are the key properties of 5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole?
5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole has a molecular weight of 464.37 g/mol, XLogP of 7.81, 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-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole is sourced from PubChem (CID 58882251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).