6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole

C13H7Br3N2 — CID 107939488

IUPAC6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
SMILESBrc1ccc(-c2nc3ccc(Br)cc3[nH]2)c(Br)c1
InChIInChI=1S/C13H7Br3N2/c14-7-1-3-9(10(16)5-7)13-17-11-4-2-8(15)6-12(11)18-13/h1-6H,(H,17,18)
InChIKeyPATZQWREPMFEPO-UHFFFAOYSA-N
MW430.93 g/mol
LogP5.52
Rot. Bonds1

About 6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole

6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole (PubChem CID 107939488) has the molecular formula C13H7Br3N2 and a molecular weight of 430.93 g/mol. Its IUPAC name is 6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
PubChem CID107939488
Molecular FormulaC13H7Br3N2
Molecular Weight430.93 g/mol
Exact Mass427.82
IUPAC Name6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
SMILESBrc1ccc(-c2nc3ccc(Br)cc3[nH]2)c(Br)c1
InChIInChI=1S/C13H7Br3N2/c14-7-1-3-9(10(16)5-7)13-17-11-4-2-8(15)6-12(11)18-13/h1-6H,(H,17,18)
InChIKeyPATZQWREPMFEPO-UHFFFAOYSA-N
XLogP5.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.93
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole (CID 107939488) is 6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole is Brc1ccc(-c2nc3ccc(Br)cc3[nH]2)c(Br)c1.
What is the InChIKey of 6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole?
The InChIKey is PATZQWREPMFEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br3N2/c14-7-1-3-9(10(16)5-7)13-17-11-4-2-8(15)6-12(11)18-13/h1-6H,(H,17,18).
What are the key properties of 6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole?
6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole has a molecular weight of 430.93 g/mol, XLogP of 5.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole is sourced from PubChem (CID 107939488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).