Basic information
- CAS
5463-65-0- Standard SMILES
Cc1cccc(Cc2nc3ccccc3[nH]2)c1- InChIKey
HDVTYHIYZACROK-UHFFFAOYSA-N- Molecular formula
- C15H14N2
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.11569846
Names & identifiers
- Preferred name
- 2-(3-Methylbenzyl)-1h-benzimidazole
- IUPAC
- 2-[(3-methylphenyl)methyl]-1H-benzimidazole
Names & synonyms
5463-65-0MLS0026384072-(3-methylbenzyl)-1h-benzimidazoleNSC15004CHEMBL1875436DTXSID70279983HMS3087E18NSC 15004NSC-15004AKOS011676713SMR0015478902-[(3-Methylphenyl)methyl]-1H-1,3-benzimidazole
Database identifiers
- CAS
5463-65-0- PubChem CID
- 225501
- DTXSID
DTXSID70279983- ChEMBL
CHEMBL1875436
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
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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