1-(3,4,5-Trimethoxybenzoyl)-3-(2-(4-(1-(4-fluorobenzyl)-1h-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine methanesulfonic acid salt

HCID 22009142
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(C(=O)N2CCC(CCN3CCC(Nc4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccccc3)C2)cc(OC)c1OC.CS(=O)(=O)O
InChIKey
JDBOFWHQADYDTI-UHFFFAOYSA-N
Molecular formula
C42H50FN5O7S
Average molar mass
787.9 g/mol
Monoisotopic mass
787.34149829

Names & identifiers

Preferred name
1-(3,4,5-Trimethoxybenzoyl)-3-(2-(4-(1-(4-fluorobenzyl)-1h-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine methanesulfonic acid salt
IUPAC
[3-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-phenylpyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone;methanesulfonic acid

Names & synonyms

SCHEMBL6999137JDBOFWHQADYDTI-UHFFFAOYSA-N1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(4-fluorobenzyl)-1h-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine methanesulfonic acid salt

Database identifiers

PubChem CID
22009142

Properties

Computed structural properties

Topological polar surface area
144 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
12
Heavy atoms
56

Related reactions

1 records
New reaction record

Compound notes

Loading…