1H-Benzimidazole, 2-[(4-methylphenyl)methyl]-
Basic information
- CAS
108714-03-0- Standard SMILES
Cc1ccc(Cc2nc3ccccc3[nH]2)cc1- InChIKey
HULPJQXXYCPOHN-UHFFFAOYSA-N- Molecular formula
- C15H14N2
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.11569846
Names & identifiers
- Preferred name
- 1H-Benzimidazole, 2-[(4-methylphenyl)methyl]-
- IUPAC
- 2-[(4-methylphenyl)methyl]-1H-benzimidazole
Names & synonyms
108714-03-02-[(4-methylphenyl)methyl]-1H-benzimidazole2-[(4-METHYLPHENYL)METHYL]-1H-1,3-BENZODIAZOLE2-(4-methylbenzyl)-1H-benzimidazole1H-Benzimidazole, 2-[(4-methylphenyl)methyl]-HMS2857H08Cambridge id 5493861MLS001194800CHEMBL1718693SCHEMBL20503143SCHEMBL22356617SCHEMBL29823043
Show more names
DTXSID90354408CCG-15749SBB044965AKOS000275108HS-86252-(4-methylbenzyl)-1 h -benzimidazole2-[(4-methylphenyl)methyl]benzimidazoleSMR000554819
Database identifiers
- CAS
108714-03-0- PubChem CID
- 772158
- DTXSID
DTXSID90354408- ChEMBL
CHEMBL1718693
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 245
Experimental & physicochemical properties
Solubility31.8 [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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