Basic information
- Standard SMILES
O=C(Nc1ccc2ncsc2c1)c1ccc2[nH]c(Nc3ccccc3C(F)(F)F)nc2c1- InChIKey
PMBPMXKHOKCPND-UHFFFAOYSA-N- Molecular formula
- C22H14F3N5OS
- Average molar mass
- 453.4 g/mol
- Monoisotopic mass
- 453.08711575
Names & identifiers
- Preferred name
- 2-(2-Trifluoromethylphenylamino)-1H-benzoimidazole-5-carboxylic acid benzothiazol-6-ylamide
- IUPAC
- N-(1,3-benzothiazol-6-yl)-2-[2-(trifluoromethyl)anilino]-3H-benzimidazole-5-carboxamide
Names & synonyms
2-(2-Trifluoromethylphenylamino)-1H-benzoimidazole-5-carboxylic acid benzothiazol-6-ylamideSCHEMBL2930134
Database identifiers
- PubChem CID
- 59522595
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 682
Related reactions
3 records
Compound notes
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