7-Bromo-2-(1-(4-cyanobenzyl)-5-imidazolylmethyl)-1,2,3,4-tetrahydroisoquinoline

HCID 9866080
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Basic information

Standard SMILES
N#Cc1ccc(Cn2cncc2CN2CCc3ccc(Br)cc3C2)cc1
InChIKey
IAMZOIFUAWXKFE-UHFFFAOYSA-N
Molecular formula
C21H19BrN4
Average molar mass
407.3 g/mol

Names & identifiers

Preferred name
7-Bromo-2-(1-(4-cyanobenzyl)-5-imidazolylmethyl)-1,2,3,4-tetrahydroisoquinoline
IUPAC
4-[[5-[(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methyl]imidazol-1-yl]methyl]benzonitrile

Names & synonyms

SCHEMBL7744226IAMZOIFUAWXKFE-UHFFFAOYSA-N7-bromo-2-(1-(4-cyanobenzyl)-5-imidazolylmethyl)-1,2,3,4-tetrahydroisoquinoline

Database identifiers

PubChem CID
9866080

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
44.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
26

Related reactions

2 records
New reaction record

Compound notes

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