Basic information
- CAS
333746-90-0- Standard SMILES
Cc1nc2ccccc2n1CCc1ccccc1- InChIKey
HUOSRLKHQQNGGL-UHFFFAOYSA-N- Molecular formula
- C16H16N2
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.13134852
Names & identifiers
- Preferred name
- 2-Methyl-1-(2-phenylethyl)benzimidazole
- IUPAC
- 2-methyl-1-(2-phenylethyl)benzimidazole
Names & synonyms
2-methyl-1-(2-phenylethyl)-1H-benzimidazole2-methyl-1-(2-phenylethyl)benzimidazole333746-90-0MLS000712528SCHEMBL540958IFLab1_001656CHEMBL1611540DTXSID201323063HMS1416L06HMS2673J06STK870453AKOS000569202
Show more names
SMR0002822952-methyl-1-phenethyl-1h-benzo[d]imidazoleST50069082SR-01000442119SR-01000442119-1Z55178717
Database identifiers
- CAS
333746-90-0- PubChem CID
- 763570
- DTXSID
DTXSID201323063- ChEMBL
CHEMBL1611540
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 260
Experimental & physicochemical properties
Solubility30.1 [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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