Basic information
- Standard SMILES
CCOCCn1c(NC2CCN(CCC3(c4ccc(C)c(C)c4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)nc2ccccc21- InChIKey
HNFJEMXSDVIXLE-UHFFFAOYSA-N- Molecular formula
- C40H53N5O5
- Average molar mass
- 683.9 g/mol
Names & identifiers
- Preferred name
- 1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-dimethylphenyl)pyrrolidine
- IUPAC
- [3-(3,4-dimethylphenyl)-3-[2-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Names & synonyms
SCHEMBL6990523HNFJEMXSDVIXLE-UHFFFAOYSA-N1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-dimethylphenyl)pyrrolidine
Database identifiers
- PubChem CID
- 9831385
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
4 records
Compound notes
Loading…