5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole

C13H6Br2Cl2N2 — CID 107939532

IUPAC5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole
SMILESClc1cc2nc(-c3ccc(Br)cc3Br)[nH]c2cc1Cl
InChIInChI=1S/C13H6Br2Cl2N2/c14-6-1-2-7(8(15)3-6)13-18-11-4-9(16)10(17)5-12(11)19-13/h1-5H,(H,18,19)
InChIKeyWNNJZAMVIAFMNT-UHFFFAOYSA-N
MW420.92 g/mol
LogP6.06
Rot. Bonds1

About 5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole

5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole (PubChem CID 107939532) has the molecular formula C13H6Br2Cl2N2 and a molecular weight of 420.92 g/mol. Its IUPAC name is 5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole
PubChem CID107939532
Molecular FormulaC13H6Br2Cl2N2
Molecular Weight420.92 g/mol
Exact Mass417.83
IUPAC Name5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole
SMILESClc1cc2nc(-c3ccc(Br)cc3Br)[nH]c2cc1Cl
InChIInChI=1S/C13H6Br2Cl2N2/c14-6-1-2-7(8(15)3-6)13-18-11-4-9(16)10(17)5-12(11)19-13/h1-5H,(H,18,19)
InChIKeyWNNJZAMVIAFMNT-UHFFFAOYSA-N
XLogP6.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.92
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939488
2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole
CID 78912113
5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole
CID 78912108
6-bromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 64723542
2-(2,5-dibromophenyl)-5,6-difluoro-1H-benzimidazole
CID 114373862
5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 78912050
4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol
CID 136751628
2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole
CID 110532332
2-(6-bromo-1H-inden-2-yl)-5,6-dichloro-1H-benzimidazole
CID 159139111
2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline
CID 54919605
2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
CID 63399315
2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole
CID 114560131

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole (CID 107939532) is 5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole is Clc1cc2nc(-c3ccc(Br)cc3Br)[nH]c2cc1Cl.
What is the InChIKey of 5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole?
The InChIKey is WNNJZAMVIAFMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2Cl2N2/c14-6-1-2-7(8(15)3-6)13-18-11-4-9(16)10(17)5-12(11)19-13/h1-5H,(H,18,19).
What are the key properties of 5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole?
5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole has a molecular weight of 420.92 g/mol, XLogP of 6.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole is sourced from PubChem (CID 107939532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).