Basic information
- CAS
879467-14-8- Standard SMILES
Cn1c(CCNC(=O)C2CCCCC2)nc2cc([N+](=O)[O-])ccc21- InChIKey
MOENMGADWCQLDG-UHFFFAOYSA-N- Molecular formula
- C17H22N4O3
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.16919058
Names & identifiers
- Preferred name
- N-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]cyclohexanecarboxamide
- IUPAC
- N-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]cyclohexanecarboxamide
Names & synonyms
879467-14-8N-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]cyclohexanecarboxamideN-[2-(1-methyl-5-nitro-1H-benzimidazol-2-yl)ethyl]cyclohexanecarboxamideMLS000664810CHEMBL1341511DTXSID901319811HMS2729L08STK499731AKOS003669466SMR000296280N-(2-(1-methyl-5-nitro-1H-benzo[d]imidazol-2-yl)ethyl)cyclohexanecarboxamide
Database identifiers
- CAS
879467-14-8- PubChem CID
- 4972012
- DTXSID
DTXSID901319811- ChEMBL
CHEMBL1341511
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 461
Experimental & physicochemical properties
Solubility44 [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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