Basic information
- Standard SMILES
COc1ccc(COc2ccc(C(C)n3c(N)nc4cc(-c5ccc(F)cc5)ccc43)cc2OC)cn1- InChIKey
JZQQDBFGYACTPW-UHFFFAOYSA-N- Molecular formula
- C29H27FN4O3
- Average molar mass
- 498.5 g/mol
Names & identifiers
- Preferred name
- 5-(4-fluorophenyl)-1-(1-(3-methoxy-4-((6-methoxypyridin-3-yl)methoxy)phenyl)ethyl)-1H-benzo[d]imidazol-2-amine
- IUPAC
- 5-(4-fluorophenyl)-1-[1-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]ethyl]benzimidazol-2-amine
Names & synonyms
CHEMBL3678293SCHEMBL16762925SCHEMBL29774387JZQQDBFGYACTPW-UHFFFAOYSA-NBDBM164951US9067914, Ex. 3-465-(4-fluorophenyl)-1-(1-(3-methoxy-4-((6-methoxypyridin-3-yl)methoxy)phenyl)ethyl)-1H-benzo[d]imidazol-2-amine
Database identifiers
- PubChem CID
- 118009836
- ChEMBL
CHEMBL3678293
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 711
Related reactions
2 records
Compound notes
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