2-(4-chlorophenyl)-1-[(4-methylbenzyl)oxy]-6-nitro-1H-1,3-benzimidazole
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Basic information
- CAS
282523-17-5- Standard SMILES
Cc1ccc(COn2c(-c3ccc(Cl)cc3)nc3ccc([N+](=O)[O-])cc32)cc1- InChIKey
BCBYVCHAFOHBKM-UHFFFAOYSA-N- Molecular formula
- C21H16ClN3O3
- Average molar mass
- 393.8 g/mol
- Monoisotopic mass
- 393.0880191
Names & identifiers
- Preferred name
- 2-(4-chlorophenyl)-1-[(4-methylbenzyl)oxy]-6-nitro-1H-1,3-benzimidazole
- IUPAC
- 2-(4-chlorophenyl)-1-[(4-methylphenyl)methoxy]-6-nitrobenzimidazole
- English name
- 2-(4-CHLOROPHENYL)-1-[(4-METHYLBENZYL)OXY]-6-NITRO-1H-1,3-BENZIMIDAZOLE
- Molecular formula
- C21H16ClN3O3
- Molecular weight
- 393.82
Names & synonyms
282523-17-52-(4-chlorophenyl)-1-[(4-methylbenzyl)oxy]-6-nitro-1H-1,3-benzimidazole2-(4-chlorophenyl)-1-[(4-methylphenyl)methoxy]-6-nitro-1H-1,3-benzodiazole2-(4-chlorophenyl)-1-[(4-methylphenyl)methoxy]-6-nitrobenzimidazoleBionet1_000711C21H16ClN3O3MLS000543403CHEMBL1579754HMS569P13HMS2400C17MFCD00141398AKOS005074383
Show more names
1H-Benzimidazole, 2-(4-chlorophenyl)-1-[(4-methylphenyl)methoxy]-6-nitro-
10F-347SSMR0001693722-(4-chlorophenyl)-6-nitro-1-(p-tolylmethoxy)benzimidazole2-(4-Chlorophenyl)-1-((4-methylbenzyl)oxy)-6-nitro-1H-benzo[d]imidazole
Database identifiers
- CAS
282523-17-5- PubChem CID
- 1477003
- ChEMBL
CHEMBL1579754
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 529
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
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Compound notes
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