Basic information
- Standard SMILES
COc1cc(C(=O)N2CCC(CCN3CCC(Nc4nc5ccccc5n4Cc4nccn4Cc4ccccc4)CC3)(c3ccc(F)c(F)c3)C2)cc(OC)c1OC- InChIKey
CEZXWYZHBNVKMO-UHFFFAOYSA-N- Molecular formula
- C45H49F2N7O4
- Average molar mass
- 789.9 g/mol
- Monoisotopic mass
- 789.38140939
Names & identifiers
- Preferred name
- 1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(1-benzyl-1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-difluorophenyl) pyrrolidine
- IUPAC
- [3-[2-[4-[[1-[(1-benzylimidazol-2-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-(3,4-difluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Names & synonyms
SCHEMBL6993632CEZXWYZHBNVKMO-UHFFFAOYSA-N1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(1-benzyl-1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-difluorophenyl) pyrrolidine1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(1-benzyl-1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-difluorophenyl)pyrrolidine
Database identifiers
- PubChem CID
- 69955259
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,300
Related reactions
4 records
Compound notes
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