Basic information
- CAS
78686-00-7- Standard SMILES
CCN(CC)CCOn1c(-c2ccccc2)nc2cc(C)c([N+](=O)[O-])cc21- InChIKey
OLRKPXJOYZBPKU-UHFFFAOYSA-N- Molecular formula
- C20H24N4O3
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.18484064
Overview
structure
Names & identifiers
- Preferred name
- 1-(2-(Diethylaminoethoxy))-2-phenyl-5-methyl-6-nitrobenzimidazole
- IUPAC
- N,N-diethyl-2-(5-methyl-6-nitro-2-phenylbenzimidazol-1-yl)oxyethanamine
Names & synonyms
78686-00-71-(2-(Diethylaminoethoxy))-2-phenyl-5-methyl-6-nitrobenzimidazoleEthanamine, N,N-diethyl-2-((5-methyl-6-nitro-2-phenyl-1H-benzimidazol-1-yl)oxy)-RefChem:74041N,N-diethyl-2-(5-methyl-6-nitro-2-phenylbenzimidazol-1-yl)oxyethanamineDTXSID209999471-(2-(Diethylaminoethoxy))-2-phenyl-5-methyl-6- nitrobenzimidazoleN,N-Diethyl-2-[(5-methyl-6-nitro-2-phenyl-1H-1,3-benzimidazol-1-yl)oxy]ethan-1-amineN,N-Diethyl-2-[(5-methyl-6-nitro-2-phenyl-1H-benzimidazol-1-yl)oxy]ethan-1-amine
Database identifiers
- CAS
78686-00-7- PubChem CID
- 192178
- DTXSID
DTXSID20999947
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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