2-[(2,2-dichlorocyclopropyl)methylsulfanyl]-1H-benzimidazole
Basic information
- CAS
488135-64-4- Standard SMILES
ClC1(Cl)CC1CSc1nc2ccccc2[nH]1- InChIKey
RBQXYGSWPOAGLK-UHFFFAOYSA-N- Molecular formula
- C11H10Cl2N2S
- Average molar mass
- 273.2 g/mol
- Monoisotopic mass
- 271.9941749
Names & identifiers
- Preferred name
- 2-[(2,2-dichlorocyclopropyl)methylsulfanyl]-1H-benzimidazole
- IUPAC
- 2-[(2,2-dichlorocyclopropyl)methylsulfanyl]-1H-benzimidazole
Names & synonyms
488135-64-42-[(2,2-dichlorocyclopropyl)methylsulfanyl]-1H-benzimidazole2-(((2,2-dichlorocyclopropyl)methyl)thio)-1H-benzo[d]imidazole2-{[(2,2-dichlorocyclopropyl)methyl]sulfanyl}-1H-1,3-benzodiazole2-{[(2,2-dichlorocyclopropyl)methyl]sulfanyl}-1H-benzimidazoleCambridge id 7361972MLS000718930CHEMBL1466755DTXSID501323800HMS2722P08STK866278AKOS000586729
Show more names
AKOS016090071SMR000291198ST50056561VU0508361-1SR-01000259960SR-01000259960-12-[(2,2-dichlorocyclopropyl)methylthio]benzimidazoleZ51165230
Database identifiers
- CAS
488135-64-4- PubChem CID
- 2937033
- DTXSID
DTXSID501323800- ChEMBL
CHEMBL1466755
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Experimental & physicochemical properties
Solubility39.8 [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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