2-(4-Imidazol-1-yl-benzyl)-1-[4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol

HCID 18172391
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Basic information

Standard SMILES
Oc1ccc2c(c1)CCN(Cc1ccc(-n3ccnc3)cc1)C2c1ccc(OCCN2CCCC2)cc1
InChIKey
AYFMLCYMIGSQQD-UHFFFAOYSA-N
Molecular formula
C31H34N4O2
Average molar mass
494.6 g/mol

Names & identifiers

Preferred name
2-(4-Imidazol-1-yl-benzyl)-1-[4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
IUPAC
2-[(4-imidazol-1-ylphenyl)methyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-6-ol

Names & synonyms

SCHEMBL6726765AYFMLCYMIGSQQD-UHFFFAOYSA-N2-(4-Imidazol-1-yl-benzyl)-1-[4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol

Database identifiers

PubChem CID
18172391

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
53.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
37

Related reactions

2 records
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Compound notes

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