2-[3-bromo-5-[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole

C32H19Br3N4 — CID 153452154

IUPAC2-[3-bromo-5-[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole
SMILESBrc1ccc(-n2c(-c3cc(Br)cc(-c4nc5ccccc5n4-c4ccc(Br)cc4)c3)nc3ccccc32)cc1
InChIInChI=1S/C32H19Br3N4/c33-22-9-13-25(14-10-22)38-29-7-3-1-5-27(29)36-31(38)20-17-21(19-24(35)18-20)32-37-28-6-2-4-8-30(28)39(32)26-15-11-23(34)12-16-26/h1-19H
InChIKeyVZQUAMFHEBYZAL-UHFFFAOYSA-N
MW699.24 g/mol
LogP9.99
Rot. Bonds4

About 2-[3-bromo-5-[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole

2-[3-bromo-5-[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole (PubChem CID 153452154) has the molecular formula C32H19Br3N4 and a molecular weight of 699.24 g/mol. Its IUPAC name is 2-[3-bromo-5-[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole.

Molecular Properties

Compound Name2-[3-bromo-5-[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole
PubChem CID153452154
Molecular FormulaC32H19Br3N4
Molecular Weight699.24 g/mol
Exact Mass695.92
IUPAC Name2-[3-bromo-5-[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole
SMILESBrc1ccc(-n2c(-c3cc(Br)cc(-c4nc5ccccc5n4-c4ccc(Br)cc4)c3)nc3ccccc32)cc1
InChIInChI=1S/C32H19Br3N4/c33-22-9-13-25(14-10-22)38-29-7-3-1-5-27(29)36-31(38)20-17-21(19-24(35)18-20)32-37-28-6-2-4-8-30(28)39(32)26-15-11-23(34)12-16-26/h1-19H
InChIKeyVZQUAMFHEBYZAL-UHFFFAOYSA-N
XLogP9.99
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.24
LogP ≤ 59.99
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-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole?
The IUPAC name of 2-[3-bromo-5-[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole (CID 153452154) is 2-[3-bromo-5-[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole.
What is the SMILES notation for 2-[3-bromo-5-[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole?
The canonical SMILES for 2-[3-bromo-5-[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole is Brc1ccc(-n2c(-c3cc(Br)cc(-c4nc5ccccc5n4-c4ccc(Br)cc4)c3)nc3ccccc32)cc1.
What is the InChIKey of 2-[3-bromo-5-[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole?
The InChIKey is VZQUAMFHEBYZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19Br3N4/c33-22-9-13-25(14-10-22)38-29-7-3-1-5-27(29)36-31(38)20-17-21(19-24(35)18-20)32-37-28-6-2-4-8-30(28)39(32)26-15-11-23(34)12-16-26/h1-19H.
What are the key properties of 2-[3-bromo-5-[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole?
2-[3-bromo-5-[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole has a molecular weight of 699.24 g/mol, XLogP of 9.99, 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-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole is sourced from PubChem (CID 153452154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).