N-(1-tert-butylbenzimidazol-5-yl)-4-chlorobenzamide
Basic information
- CAS
497247-81-1- Standard SMILES
CC(C)(C)n1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc21- InChIKey
SFUOVOSLKWNKNU-UHFFFAOYSA-N- Molecular formula
- C18H18ClN3O
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.1138399
Names & identifiers
- Preferred name
- N-(1-tert-butylbenzimidazol-5-yl)-4-chlorobenzamide
- IUPAC
- N-(1-tert-butylbenzimidazol-5-yl)-4-chlorobenzamide
Names & synonyms
N-(1-tert-butylbenzimidazol-5-yl)-4-chlorobenzamide497247-81-1N-(1-tert-butyl-1H-benzimidazol-5-yl)-4-chlorobenzamideMLS001183420CHEMBL1323633DTXSID401324017HMS2849I20STK098272AKOS005395775SMR000503104VU0417911-1SR-01000270451
Show more names
SR-01000270451-1N-(1-(tert-butyl)-1H-benzo[d]imidazol-5-yl)-4-chlorobenzamide
Database identifiers
- CAS
497247-81-1- PubChem CID
- 948892
- DTXSID
DTXSID401324017- ChEMBL
CHEMBL1323633
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 428
Experimental & physicochemical properties
Solubility33.4 [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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