4-bromo-2-(5-bromo-2-chlorophenyl)-1H-benzimidazole

C13H7Br2ClN2 — CID 114271471

IUPAC4-bromo-2-(5-bromo-2-chlorophenyl)-1H-benzimidazole
SMILESClc1ccc(Br)cc1-c1nc2c(Br)cccc2[nH]1
InChIInChI=1S/C13H7Br2ClN2/c14-7-4-5-10(16)8(6-7)13-17-11-3-1-2-9(15)12(11)18-13/h1-6H,(H,17,18)
InChIKeyWWUJIKRZEHTTPR-UHFFFAOYSA-N
MW386.47 g/mol
LogP5.41
Rot. Bonds1

About 4-bromo-2-(5-bromo-2-chlorophenyl)-1H-benzimidazole

4-bromo-2-(5-bromo-2-chlorophenyl)-1H-benzimidazole (PubChem CID 114271471) has the molecular formula C13H7Br2ClN2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-bromo-2-(5-bromo-2-chlorophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-bromo-2-(5-bromo-2-chlorophenyl)-1H-benzimidazole
PubChem CID114271471
Molecular FormulaC13H7Br2ClN2
Molecular Weight386.47 g/mol
Exact Mass383.87
IUPAC Name4-bromo-2-(5-bromo-2-chlorophenyl)-1H-benzimidazole
SMILESClc1ccc(Br)cc1-c1nc2c(Br)cccc2[nH]1
InChIInChI=1S/C13H7Br2ClN2/c14-7-4-5-10(16)8(6-7)13-17-11-3-1-2-9(15)12(11)18-13/h1-6H,(H,17,18)
InChIKeyWWUJIKRZEHTTPR-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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Related Compounds

2-(5-bromo-2-chlorophenyl)-1H-benzimidazole-4-carboxylic acid
CID 63399662
4-bromo-2-(3-chloro-4-pyridinyl)-1H-benzimidazole
CID 114271455
2-(4-bromo-2-chlorophenyl)-1H-benzimidazol-4-amine
CID 63695445
4-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 114271483
4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 91686412
2-(4-bromo-1H-benzimidazol-2-yl)-4-iodophenol
CID 136951440
2-(5-bromo-2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820972
2-(5-bromo-2-chlorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435950
2-(5-bromo-2-chlorophenyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136781996
2-(2,5-dichlorophenyl)-1H-benzimidazole-4-carbonitrile
CID 104720410
6-bromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 64723542
2-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004257

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(5-bromo-2-chlorophenyl)-1H-benzimidazole?
The IUPAC name of 4-bromo-2-(5-bromo-2-chlorophenyl)-1H-benzimidazole (CID 114271471) is 4-bromo-2-(5-bromo-2-chlorophenyl)-1H-benzimidazole.
What is the SMILES notation for 4-bromo-2-(5-bromo-2-chlorophenyl)-1H-benzimidazole?
The canonical SMILES for 4-bromo-2-(5-bromo-2-chlorophenyl)-1H-benzimidazole is Clc1ccc(Br)cc1-c1nc2c(Br)cccc2[nH]1.
What is the InChIKey of 4-bromo-2-(5-bromo-2-chlorophenyl)-1H-benzimidazole?
The InChIKey is WWUJIKRZEHTTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClN2/c14-7-4-5-10(16)8(6-7)13-17-11-3-1-2-9(15)12(11)18-13/h1-6H,(H,17,18).
What are the key properties of 4-bromo-2-(5-bromo-2-chlorophenyl)-1H-benzimidazole?
4-bromo-2-(5-bromo-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-bromo-2-(5-bromo-2-chlorophenyl)-1H-benzimidazole is sourced from PubChem (CID 114271471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).