1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(3-(4-fluorophenoxy)propyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-difluorophenyl)pyrrolidine

HCID 9853679
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Basic information

Standard SMILES
COc1cc(C(=O)N2CCC(CCN3CCC(Nc4nc5ccccc5n4CCCOc4ccc(F)cc4)CC3)(c3ccc(F)c(F)c3)C2)cc(OC)c1OC
InChIKey
AGZQLXHWEBJUJL-UHFFFAOYSA-N
Molecular formula
C43H48F3N5O5
Average molar mass
771.9 g/mol

Names & identifiers

Preferred name
1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(3-(4-fluorophenoxy)propyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-difluorophenyl)pyrrolidine
IUPAC
[3-(3,4-difluorophenyl)-3-[2-[4-[[1-[3-(4-fluorophenoxy)propyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Names & synonyms

SCHEMBL6995510AGZQLXHWEBJUJL-UHFFFAOYSA-N1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(3-(4-fluorophenoxy)propyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-difluorophenyl)pyrrolidine

Database identifiers

PubChem CID
9853679

Properties

Computed structural properties

XLogP
7.9
Topological polar surface area
90.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
11
Rotatable bonds
15
Heavy atoms
56

Related reactions

4 records
New reaction record

Compound notes

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