Basic information
- CAS
54821-01-1- Standard SMILES
Cc1nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1- InChIKey
CNEJHKONARDBES-UHFFFAOYSA-N- Molecular formula
- C15H13N3O2
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.10077667
Names & identifiers
- Preferred name
- 2-Methyl-1-[(4-nitrophenyl)methyl]-1H-benzimidazole
- IUPAC
- 2-methyl-1-[(4-nitrophenyl)methyl]benzimidazole
Names & synonyms
54821-01-12-Methyl-1-[(4-nitrophenyl)methyl]-1H-benzimidazoleDTXSID101221646AKOS017260270SY5334962-Methyl-1-(4-nitrobenzyl)-1H-benzo[d]imidazole
Database identifiers
- CAS
54821-01-1- PubChem CID
- 8307724
- DTXSID
DTXSID101221646
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…