4-bromo-2,2-dimethylbenzimidazole

C9H9BrN2 — CID 20537802

IUPAC4-bromo-2,2-dimethylbenzimidazole
SMILESCC1(C)N=c2cccc(Br)c2=N1
InChIInChI=1S/C9H9BrN2/c1-9(2)11-7-5-3-4-6(10)8(7)12-9/h3-5H,1-2H3
InChIKeyXYRPKGFSPDOTHW-UHFFFAOYSA-N
MW225.09 g/mol
LogP1.44
Rot. Bonds

About 4-bromo-2,2-dimethylbenzimidazole

4-bromo-2,2-dimethylbenzimidazole (PubChem CID 20537802) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 4-bromo-2,2-dimethylbenzimidazole.

Molecular Properties

Compound Name4-bromo-2,2-dimethylbenzimidazole
PubChem CID20537802
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name4-bromo-2,2-dimethylbenzimidazole
SMILESCC1(C)N=c2cccc(Br)c2=N1
InChIInChI=1S/C9H9BrN2/c1-9(2)11-7-5-3-4-6(10)8(7)12-9/h3-5H,1-2H3
InChIKeyXYRPKGFSPDOTHW-UHFFFAOYSA-N
XLogP1.44
TPSA24.72 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 ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,2-dimethylbenzimidazole?
The IUPAC name of 4-bromo-2,2-dimethylbenzimidazole (CID 20537802) is 4-bromo-2,2-dimethylbenzimidazole.
What is the SMILES notation for 4-bromo-2,2-dimethylbenzimidazole?
The canonical SMILES for 4-bromo-2,2-dimethylbenzimidazole is CC1(C)N=c2cccc(Br)c2=N1.
What is the InChIKey of 4-bromo-2,2-dimethylbenzimidazole?
The InChIKey is XYRPKGFSPDOTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c1-9(2)11-7-5-3-4-6(10)8(7)12-9/h3-5H,1-2H3.
What are the key properties of 4-bromo-2,2-dimethylbenzimidazole?
4-bromo-2,2-dimethylbenzimidazole has a molecular weight of 225.09 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,2-dimethylbenzimidazole is sourced from PubChem (CID 20537802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).