Basic information
- CAS
309938-40-7- Standard SMILES
Cc1nc2ccccc2n1Cc1ccccc1Br- InChIKey
QBORKFJJAKFLCW-UHFFFAOYSA-N- Molecular formula
- C15H13BrN2
- Average molar mass
- 301.18 g/mol
- Monoisotopic mass
- 300.02621
Names & identifiers
- Preferred name
- 1-[(2-Bromophenyl)methyl]-2-methylbenzimidazole
- IUPAC
- 1-[(2-bromophenyl)methyl]-2-methylbenzimidazole
Names & synonyms
309938-40-71-[(2-Bromophenyl)methyl]-2-methyl-1H-benzimidazole1-[(2-bromophenyl)methyl]-2-methylbenzimidazoleCBMicro_0062391-(2-bromobenzyl)-2-methyl-1H-benzimidazoleCambridge id 58115831-(2-Bromo-benzyl)-2-methyl-1H-benzoimidazoleMLS001211467CHEMBL1354149DTXSID801320336HMS2816G14SMSF0008015
Show more names
STK050767AKOS000562918CB08458SMR000515806BIM-0006299.P001Z54581486
Database identifiers
- CAS
309938-40-7- PubChem CID
- 761925
- DTXSID
DTXSID801320336- ChEMBL
CHEMBL1354149
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Experimental & physicochemical properties
Solubility26 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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