6-(1H-benzimidazol-2-ylmethyl)-3-(2,4,6-trifluorobenzoyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
Basic information
- Standard SMILES
O=C(c1c(F)cc(F)cc1F)c1c[nH]c2c(=O)n(Cc3nc4ccccc4[nH]3)ccc12- InChIKey
HQMGHYFOYIHAKW-UHFFFAOYSA-N- Molecular formula
- C22H13F3N4O2
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 422.09906016
Names & identifiers
- Preferred name
- 6-(1H-benzimidazol-2-ylmethyl)-3-(2,4,6-trifluorobenzoyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
- IUPAC
- 6-(1H-benzimidazol-2-ylmethyl)-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-7-one
Names & synonyms
SCHEMBL1507387HQMGHYFOYIHAKW-UHFFFAOYSA-N6-(1H-benzimidazol-2-ylmethyl)-3-(2,4,6-trifluorobenzoyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
Database identifiers
- PubChem CID
- 44548602
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 740
Related reactions
1 records
Compound notes
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