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

HCID 9831385

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

Related reactions

4 records

Compound notes

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