1H-Benzimidazol-5-amine, 4,6-dinitro-N-(2,3-diphenylpropyl)-2-methyl-
Basic information
- CAS
72766-29-1- Standard SMILES
Cc1nc2c([N+](=O)[O-])c(NCC(Cc3ccccc3)c3ccccc3)c([N+](=O)[O-])cc2[nH]1- InChIKey
NAZOVXJGWBFJIF-UHFFFAOYSA-N- Molecular formula
- C23H21N5O4
- Average molar mass
- 431.4 g/mol
- Monoisotopic mass
- 431.15935417
Names & identifiers
- Preferred name
- 1H-Benzimidazol-5-amine, 4,6-dinitro-N-(2,3-diphenylpropyl)-2-methyl-
- IUPAC
- N-(2,3-diphenylpropyl)-2-methyl-4,6-dinitro-1H-benzimidazol-5-amine
Names & synonyms
72766-29-11H-Benzimidazol-5-amine, 4,6-dinitro-N-(2,3-diphenylpropyl)-2-methyl-RefChem:1057815BRN 09489104,6-Dinitro-N-(2,3-diphenylpropyl)-2-methyl-1H-benzimidazol-5-amineDTXSID50993574N-(2,3-Diphenylpropyl)-2-methyl-5,7-dinitro-1H-1,3-benzimidazol-6-amineN-(2,3-Diphenylpropyl)-2-methyl-5,7-dinitro-1H-benzimidazol-6-amine
Database identifiers
- CAS
72766-29-1- PubChem CID
- 5746277
- DTXSID
DTXSID50993574
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 641
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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