Basic information
- Standard SMILES
CCOCCn1c(NC2CCN(CCC3(c4ccccc4)CCN(C(=O)c4cc(OC(F)(F)F)ccc4OC)C3)CC2)nc2ccccc21- InChIKey
BCIVVCWDPBSZJW-UHFFFAOYSA-N- Molecular formula
- C37H44F3N5O4
- Average molar mass
- 679.8 g/mol
- Monoisotopic mass
- 679.33453939
Names & identifiers
- Preferred name
- 1-(2-methoxy-5-trifluoromethoxybenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine
- IUPAC
- [3-[2-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-phenylpyrrolidin-1-yl]-[2-methoxy-5-(trifluoromethoxy)phenyl]methanone
Names & synonyms
1-(2-methoxy-5-trifluoromethoxybenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidineSCHEMBL6997451
Database identifiers
- PubChem CID
- 53674730
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
2 records
Compound notes
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