6-morpholin-4-yl-2-(2-trifluoromethyl-phenyl)-1H-benzoimidazole-4-carboxylic acid methyl ester
Basic information
- Standard SMILES
COC(=O)c1cc(N2CCOCC2)cc2[nH]c(-c3ccccc3C(F)(F)F)nc12- InChIKey
HYFIDQCYNNWDEZ-UHFFFAOYSA-N- Molecular formula
- C20H18F3N3O3
- Average molar mass
- 405.4 g/mol
Names & identifiers
- Preferred name
- 6-morpholin-4-yl-2-(2-trifluoromethyl-phenyl)-1H-benzoimidazole-4-carboxylic acid methyl ester
- IUPAC
- methyl 6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate
Names & synonyms
6-morpholin-4-yl-2-(2-trifluoromethyl-phenyl)-1H-benzoimidazole-4-carboxylic acid methyl esterSCHEMBL1890227
Database identifiers
- PubChem CID
- 67201807
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 585
Related reactions
2 records
Compound notes
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