ethyl 2-(2-{2-[1-(4,6,7-trifluoro-1H-benzoimidazol-2-yl)ethyl]-3-methyl-3H-benzoimidazol-5-carbonylamino}ethoxy}benzoate
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Basic information
- Standard SMILES
CCOC(=O)c1ccccc1OCCNC(=O)c1ccc2nc(C(C)c3nc4c(F)cc(F)c(F)c4[nH]3)n(C)c2c1- InChIKey
DRZTVHHRIAIMRD-UHFFFAOYSA-N- Molecular formula
- C29H26F3N5O4
- Average molar mass
- 565.5 g/mol
- Monoisotopic mass
- 565.19368881
Names & identifiers
- Preferred name
- ethyl 2-(2-{2-[1-(4,6,7-trifluoro-1H-benzoimidazol-2-yl)ethyl]-3-methyl-3H-benzoimidazol-5-carbonylamino}ethoxy}benzoate
- IUPAC
- ethyl 2-[2-[[3-methyl-2-[1-(4,6,7-trifluoro-1H-benzimidazol-2-yl)ethyl]benzimidazole-5-carbonyl]amino]ethoxy]benzoate
Names & synonyms
SCHEMBL7073624DRZTVHHRIAIMRD-UHFFFAOYSA-Nethyl 2-(2-{2-[1-(4,6,7-trifluoro-1H-benzoimidazol-2-yl)ethyl]-3-methyl-3H-benzoimidazol-5-carbonylamino}ethoxy}benzoateethyl 2-(2-{2-[I-(4,6,7-trifluoro-1H-benzoimidazol-2-yl)ethyl]-3-methyl-3H-benzoimidazol-5-carbonylamino}ethoxy}benzoate
Database identifiers
- PubChem CID
- 18537795
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 920
Related reactions
2 records
Compound notes
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