4-bromo-1,6-dimethylbenzimidazole

C9H9BrN2 — CID 68775248

IUPAC4-bromo-1,6-dimethylbenzimidazole
SMILESCc1cc(Br)c2ncn(C)c2c1
InChIInChI=1S/C9H9BrN2/c1-6-3-7(10)9-8(4-6)12(2)5-11-9/h3-5H,1-2H3
InChIKeyXJIKPPDPTNDKEU-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.64
Rot. Bonds

About 4-bromo-1,6-dimethylbenzimidazole

4-bromo-1,6-dimethylbenzimidazole (PubChem CID 68775248) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 4-bromo-1,6-dimethylbenzimidazole.

Molecular Properties

Compound Name4-bromo-1,6-dimethylbenzimidazole
PubChem CID68775248
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name4-bromo-1,6-dimethylbenzimidazole
SMILESCc1cc(Br)c2ncn(C)c2c1
InChIInChI=1S/C9H9BrN2/c1-6-3-7(10)9-8(4-6)12(2)5-11-9/h3-5H,1-2H3
InChIKeyXJIKPPDPTNDKEU-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 4-bromo-1,6-dimethylbenzimidazole?
The IUPAC name of 4-bromo-1,6-dimethylbenzimidazole (CID 68775248) is 4-bromo-1,6-dimethylbenzimidazole.
What is the SMILES notation for 4-bromo-1,6-dimethylbenzimidazole?
The canonical SMILES for 4-bromo-1,6-dimethylbenzimidazole is Cc1cc(Br)c2ncn(C)c2c1.
What is the InChIKey of 4-bromo-1,6-dimethylbenzimidazole?
The InChIKey is XJIKPPDPTNDKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c1-6-3-7(10)9-8(4-6)12(2)5-11-9/h3-5H,1-2H3.
What are the key properties of 4-bromo-1,6-dimethylbenzimidazole?
4-bromo-1,6-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 4-bromo-1,6-dimethylbenzimidazole is sourced from PubChem (CID 68775248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).