5'-Bromo-4-methoxy-5''-methyldispiro[cyclohexane-1,2'-[1]-benzofuran-3',2''-imidazol]-4''-amine

HCID 67979552

Basic information

Standard SMILES
COC1CCC2(CC1)Oc1ccc(Br)cc1C21N=C(C)C(N)=N1
InChIKey
JCRQLFDPHZWIEQ-UHFFFAOYSA-N
Molecular formula
C17H20BrN3O2
Average molar mass
378.3 g/mol
Monoisotopic mass
377.07389

Names & identifiers

Preferred name
5'-Bromo-4-methoxy-5''-methyldispiro[cyclohexane-1,2'-[1]-benzofuran-3',2''-imidazol]-4''-amine

Names & synonyms

SCHEMBL9948392CHEMBL3653696JCRQLFDPHZWIEQ-UHFFFAOYSA-NBDBM136786US8865911, 295'-Bromo-4-methoxy-5''-methyldispiro[cyclohexane-1,2'-[1]-benzofuran-3',2''-imidazol]-4''-amine5'-Bromo-4-methoxy-5''-methyldispiro[cyclohexane-1,2'-[1]benzofuran-3',2''-imidazol]-4''-amine

Database identifiers

PubChem CID
67979552
ChEMBL
CHEMBL3653696

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
69.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
23

Related reactions

12 records

Compound notes

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