1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(4-methyl-1-piperazinyl)-
Basic information
- CAS
72766-23-5- Standard SMILES
Cc1nc2c([N+](=O)[O-])c(N3CCN(C)CC3)c([N+](=O)[O-])cc2[nH]1- InChIKey
HPVKQZRQGRPKRG-UHFFFAOYSA-N- Molecular formula
- C13H16N6O4
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.12330301
Names & identifiers
- Preferred name
- 1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(4-methyl-1-piperazinyl)-
- IUPAC
- 2-methyl-5-(4-methylpiperazin-1-yl)-4,6-dinitro-1H-benzimidazole
Names & synonyms
BRN 093968972766-23-51H-Benzimidazole, 4,6-dinitro-2-methyl-5-(4-methyl-1-piperazinyl)-DTXSID502230854,6-Dinitro-2-methyl-5-(4-methyl-1-piperazinyl)-1H-benzimidazoleNSC 291082RefChem:237530DTXCID50145576NSC291082NSC-2910822-Methyl-5-(4-methylpiperazin-1-yl)-4,6-dinitro-1H-1,3-benzimidazole
Database identifiers
- CAS
72766-23-5- PubChem CID
- 100353
- DTXSID
DTXSID50223085
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 472
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…