2-[3-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole

C32H21BrN4 — CID 86722502

IUPAC2-[3-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
SMILESBrc1cc(-c2nc3ccccc3n2-c2ccccc2)cc(-c2nc3ccccc3n2-c2ccccc2)c1
InChIInChI=1S/C32H21BrN4/c33-24-20-22(31-34-27-15-7-9-17-29(27)36(31)25-11-3-1-4-12-25)19-23(21-24)32-35-28-16-8-10-18-30(28)37(32)26-13-5-2-6-14-26/h1-21H
InChIKeyXLEYOTUWBLZQNC-UHFFFAOYSA-N
MW541.45 g/mol
LogP8.46
Rot. Bonds4

About 2-[3-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole

2-[3-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole (PubChem CID 86722502) has the molecular formula C32H21BrN4 and a molecular weight of 541.45 g/mol. Its IUPAC name is 2-[3-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[3-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
PubChem CID86722502
Molecular FormulaC32H21BrN4
Molecular Weight541.45 g/mol
Exact Mass540.09
IUPAC Name2-[3-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
SMILESBrc1cc(-c2nc3ccccc3n2-c2ccccc2)cc(-c2nc3ccccc3n2-c2ccccc2)c1
InChIInChI=1S/C32H21BrN4/c33-24-20-22(31-34-27-15-7-9-17-29(27)36(31)25-11-3-1-4-12-25)19-23(21-24)32-35-28-16-8-10-18-30(28)37(32)26-13-5-2-6-14-26/h1-21H
InChIKeyXLEYOTUWBLZQNC-UHFFFAOYSA-N
XLogP8.46
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.45
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[3-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole (CID 86722502) is 2-[3-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[3-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[3-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole is Brc1cc(-c2nc3ccccc3n2-c2ccccc2)cc(-c2nc3ccccc3n2-c2ccccc2)c1.
What is the InChIKey of 2-[3-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole?
The InChIKey is XLEYOTUWBLZQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21BrN4/c33-24-20-22(31-34-27-15-7-9-17-29(27)36(31)25-11-3-1-4-12-25)19-23(21-24)32-35-28-16-8-10-18-30(28)37(32)26-13-5-2-6-14-26/h1-21H.
What are the key properties of 2-[3-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole?
2-[3-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole has a molecular weight of 541.45 g/mol, XLogP of 8.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 86722502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).