4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole

C13H7Br2ClN2 — CID 91686412

IUPAC4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole
SMILESClc1ccccc1-c1nc2c(Br)cc(Br)cc2[nH]1
InChIInChI=1S/C13H7Br2ClN2/c14-7-5-9(15)12-11(6-7)17-13(18-12)8-3-1-2-4-10(8)16/h1-6H,(H,17,18)
InChIKeyWZOOTUYIXOMKIQ-UHFFFAOYSA-N
MW386.47 g/mol
LogP5.41
Rot. Bonds1

About 4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole

4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole (PubChem CID 91686412) has the molecular formula C13H7Br2ClN2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole
PubChem CID91686412
Molecular FormulaC13H7Br2ClN2
Molecular Weight386.47 g/mol
Exact Mass383.87
IUPAC Name4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole
SMILESClc1ccccc1-c1nc2c(Br)cc(Br)cc2[nH]1
InChIInChI=1S/C13H7Br2ClN2/c14-7-5-9(15)12-11(6-7)17-13(18-12)8-3-1-2-4-10(8)16/h1-6H,(H,17,18)
InChIKeyWZOOTUYIXOMKIQ-UHFFFAOYSA-N
XLogP5.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole?
The IUPAC name of 4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole (CID 91686412) is 4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole.
What is the SMILES notation for 4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole?
The canonical SMILES for 4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole is Clc1ccccc1-c1nc2c(Br)cc(Br)cc2[nH]1.
What is the InChIKey of 4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole?
The InChIKey is WZOOTUYIXOMKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClN2/c14-7-5-9(15)12-11(6-7)17-13(18-12)8-3-1-2-4-10(8)16/h1-6H,(H,17,18).
What are the key properties of 4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole?
4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole has a molecular weight of 386.47 g/mol, XLogP of 5.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole is sourced from PubChem (CID 91686412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).