Basic information
- CAS
71443-48-6- Standard SMILES
Cn1c(C(=O)c2ccccc2[N+](=O)[O-])nc2ccccc21- InChIKey
UNFHWJCRWRZFMT-UHFFFAOYSA-N- Molecular formula
- C15H11N3O3
- Average molar mass
- 281.27 g/mol
- Monoisotopic mass
- 281.08004122
Names & identifiers
- Preferred name
- (1-methyl-1H-benzimidazol-2-yl)(2-nitrophenyl)methanone
- IUPAC
- (1-methylbenzimidazol-2-yl)-(2-nitrophenyl)methanone
Names & synonyms
71443-48-6(1-methyl-1H-benzimidazol-2-yl)(2-nitrophenyl)methanoneF0016-1494(1-methylbenzimidazol-2-yl)-(2-nitrophenyl)methanoneOprea1_157589MLS000664098CHEMBL1408606DTXSID401320053HMS2682N15SMSSF-0057828AKOS002054431SMR000295202
Show more names
SR-01000397159SR-01000397159-1(1-methyl-1H-1,3-benzimidazol-2-yl)(o-nitrophenyl)methanone(1-methyl-1H-benzo[d]imidazol-2-yl)(2-nitrophenyl)methanone
Database identifiers
- CAS
71443-48-6- PubChem CID
- 712797
- DTXSID
DTXSID401320053- ChEMBL
CHEMBL1408606
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
Experimental & physicochemical properties
Solubility36.1 [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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