N-(1H-benzimidazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
Basic information
- CAS
850587-17-6- Standard SMILES
Cc1cc(C)c(OCC(=O)Nc2nc3ccccc3[nH]2)c(C)c1- InChIKey
QRDBWCVAVXZWHO-UHFFFAOYSA-N- Molecular formula
- C18H19N3O2
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.14772686
Names & identifiers
- Preferred name
- N-(1H-benzimidazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
- IUPAC
- N-(1H-benzimidazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
Names & synonyms
N-(1H-benzimidazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamideMLS000770797CHEMBL1385016DTXSID101321652KUC106591NKSC-09-211AAKOS034022404850587-17-6SMR000343969Z27664907
Database identifiers
- CAS
850587-17-6- PubChem CID
- 2583301
- DTXSID
DTXSID101321652- ChEMBL
CHEMBL1385016
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 405
Experimental & physicochemical properties
Solubility0.3 [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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