Basic information
- CAS
960-77-0- Standard SMILES
Cc1nc2cccc([N+](=O)[O-])c2n1CCCN(C)C- InChIKey
GRVQXOCIONMKSL-UHFFFAOYSA-N- Molecular formula
- C13H18N4O2
- Average molar mass
- 262.31 g/mol
- Monoisotopic mass
- 262.14297583
Names & identifiers
- Preferred name
- 1-(3-(dimethylamino)propyl)-7-(hydroxy(oxido)amino)-2-methyl-1H-benzimidazole
- IUPAC
- N,N-dimethyl-3-(2-methyl-7-nitrobenzimidazol-1-yl)propan-1-amine
Names & synonyms
NSC38852960-77-0NSC-38852NCIStruc1_001194NCIStruc2_001485CHEMBL1607057DTXSID00328594NCI38852CCG-36755NCGC000134531-(3-(dimethylamino)propyl)-7-(hydroxy(oxido)amino)-2-methyl-1H-benzimidazoleNCGC00013453-02
Show more names
NCGC00096568-01NCI60_003696Dimethyl-[3-(methyl-nitro-benzimidazol-1-yl)-propyl]-amineN,N-dimethyl-3-(2-methyl-7-nitro-benzimidazol-1-yl)propan-1-amineN,N-Dimethyl-3-(2-methyl-7-nitro-1H-1,3-benzimidazol-1-yl)propan-1-amine1H-Benzimidazole-1-propanamine,N,N,2-trimethyl-7-nitro-,hydrochloride(1:2)NCIStruc1_001194, NCIStruc2_001485, NSC38852, NCI38852, CID412302, NCGC00013453, NSC-38852, NCGC00096568-01, NCI60_003696, 1-(3-(dimethylamino)propyl)-7-(hydroxy(oxido)amino)-2-methyl-1H-benzimidazole, 960-77-0
Database identifiers
- CAS
960-77-0- PubChem CID
- 412302
- DTXSID
DTXSID00328594- ChEMBL
CHEMBL1607057
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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