N-[4-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide
Basic information
- CAS
830350-75-9- Standard SMILES
O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc2nc[nH]c2c1- InChIKey
MHSAFKYEYVQVEG-UHFFFAOYSA-N- Molecular formula
- C15H10F3N3O2
- Average molar mass
- 321.25 g/mol
- Monoisotopic mass
- 321.07251106
Names & identifiers
- Preferred name
- N-[4-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide
- IUPAC
- N-[4-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide
Names & synonyms
830350-75-9N-[4-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamideN-[4-(trifluoromethoxy)phenyl]-1H-benzimidazole-6-carboxamideMLS001008096SMR000498284F3055-0118N-(4-(trifluoromethoxy)phenyl)-1H-benzo[d]imidazole-6-carboxamideN-[4-(trifluoromethoxy)phenyl]-1H-1,3-benzodiazole-6-carboxamideCHEMBL1313383BDBM75125cid_2226166DTXSID601326702
Show more names
HMS2821F13SMSSF-0053199STK851661AKOS001304068AKOS002236331ST50115084VU0507988-1AB00368222-02
Database identifiers
- CAS
830350-75-9- PubChem CID
- 2226166
- DTXSID
DTXSID601326702- ChEMBL
CHEMBL1313383
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 425
Experimental & physicochemical properties
Solubility14.9 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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