5-bromo-4-chloro-1,2-dimethylbenzimidazole

C9H8BrClN2 — CID 164860478

IUPAC5-bromo-4-chloro-1,2-dimethylbenzimidazole
SMILESCc1nc2c(Cl)c(Br)ccc2n1C
InChIInChI=1S/C9H8BrClN2/c1-5-12-9-7(13(5)2)4-3-6(10)8(9)11/h3-4H,1-2H3
InChIKeyLLOCLZVUQHUHJO-UHFFFAOYSA-N
MW259.53 g/mol
LogP3.30
Rot. Bonds

About 5-bromo-4-chloro-1,2-dimethylbenzimidazole

5-bromo-4-chloro-1,2-dimethylbenzimidazole (PubChem CID 164860478) has the molecular formula C9H8BrClN2 and a molecular weight of 259.53 g/mol. Its IUPAC name is 5-bromo-4-chloro-1,2-dimethylbenzimidazole.

Molecular Properties

Compound Name5-bromo-4-chloro-1,2-dimethylbenzimidazole
PubChem CID164860478
Molecular FormulaC9H8BrClN2
Molecular Weight259.53 g/mol
Exact Mass257.96
IUPAC Name5-bromo-4-chloro-1,2-dimethylbenzimidazole
SMILESCc1nc2c(Cl)c(Br)ccc2n1C
InChIInChI=1S/C9H8BrClN2/c1-5-12-9-7(13(5)2)4-3-6(10)8(9)11/h3-4H,1-2H3
InChIKeyLLOCLZVUQHUHJO-UHFFFAOYSA-N
XLogP3.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.53
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-1,2-dimethylbenzimidazole?
The IUPAC name of 5-bromo-4-chloro-1,2-dimethylbenzimidazole (CID 164860478) is 5-bromo-4-chloro-1,2-dimethylbenzimidazole.
What is the SMILES notation for 5-bromo-4-chloro-1,2-dimethylbenzimidazole?
The canonical SMILES for 5-bromo-4-chloro-1,2-dimethylbenzimidazole is Cc1nc2c(Cl)c(Br)ccc2n1C.
What is the InChIKey of 5-bromo-4-chloro-1,2-dimethylbenzimidazole?
The InChIKey is LLOCLZVUQHUHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2/c1-5-12-9-7(13(5)2)4-3-6(10)8(9)11/h3-4H,1-2H3.
What are the key properties of 5-bromo-4-chloro-1,2-dimethylbenzimidazole?
5-bromo-4-chloro-1,2-dimethylbenzimidazole has a molecular weight of 259.53 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-1,2-dimethylbenzimidazole is sourced from PubChem (CID 164860478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).