1H-Benzimidazole, 5,5'-methylenebis-
Basic information
- CAS
68305-04-4- Standard SMILES
c1nc2ccc(Cc3ccc4nc[nH]c4c3)cc2[nH]1- InChIKey
BVYLJPFJEXGWNK-UHFFFAOYSA-N- Molecular formula
- C15H12N4
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.1061964
Names & identifiers
- Preferred name
- 1H-Benzimidazole, 5,5'-methylenebis-
- IUPAC
- 6-(3H-benzimidazol-5-ylmethyl)-1H-benzimidazole
Names & synonyms
68305-04-41H-Benzimidazole, 5,5'-methylenebis-RefChem:237537ChemDiv3_006998MLS001208865CHEMBL1522028DTXSID301289547HMS1492O02HMS2824D23MFCD07161724AKOS001697009IDI1_024908
Show more names
SMR0005250121H-Benzimidazole, 5,5a(2)-methylenebis-SR-010000877095-[(1H-Benzimidazol-6-yl)methyl]-1H-benzimidazoleSR-01000087709-1
Database identifiers
- CAS
68305-04-4- PubChem CID
- 6484686
- DTXSID
DTXSID301289547- ChEMBL
CHEMBL1522028
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 291
Experimental & physicochemical properties
Solubility34.3 [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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