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
- Formal charge
- 0
- Complexity
- 556
Related reactions
12 records
Compound notes
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