6-bromo-1,2-dimethylbenzimidazole

C9H9BrN2 — CID 58109509

IUPAC6-bromo-1,2-dimethylbenzimidazole
SMILESCc1nc2ccc(Br)cc2n1C
InChIInChI=1S/C9H9BrN2/c1-6-11-8-4-3-7(10)5-9(8)12(6)2/h3-5H,1-2H3
InChIKeyXXPOCWQCTILEQZ-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.64
Rot. Bonds

About 6-bromo-1,2-dimethylbenzimidazole

6-bromo-1,2-dimethylbenzimidazole (PubChem CID 58109509) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 6-bromo-1,2-dimethylbenzimidazole.

Molecular Properties

Compound Name6-bromo-1,2-dimethylbenzimidazole
PubChem CID58109509
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name6-bromo-1,2-dimethylbenzimidazole
SMILESCc1nc2ccc(Br)cc2n1C
InChIInChI=1S/C9H9BrN2/c1-6-11-8-4-3-7(10)5-9(8)12(6)2/h3-5H,1-2H3
InChIKeyXXPOCWQCTILEQZ-UHFFFAOYSA-N
XLogP2.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,2-dimethylbenzimidazole?
The IUPAC name of 6-bromo-1,2-dimethylbenzimidazole (CID 58109509) is 6-bromo-1,2-dimethylbenzimidazole.
What is the SMILES notation for 6-bromo-1,2-dimethylbenzimidazole?
The canonical SMILES for 6-bromo-1,2-dimethylbenzimidazole is Cc1nc2ccc(Br)cc2n1C.
What is the InChIKey of 6-bromo-1,2-dimethylbenzimidazole?
The InChIKey is XXPOCWQCTILEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c1-6-11-8-4-3-7(10)5-9(8)12(6)2/h3-5H,1-2H3.
What are the key properties of 6-bromo-1,2-dimethylbenzimidazole?
6-bromo-1,2-dimethylbenzimidazole has a molecular weight of 225.09 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,2-dimethylbenzimidazole is sourced from PubChem (CID 58109509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).