Basic information
- CAS
1207197-68-9- Standard SMILES
Cn1c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)nc2ccccc21- InChIKey
BQOUGDGGUWVLTD-UHFFFAOYSA-N- Molecular formula
- C19H19ClF3N5
- Average molar mass
- 409.8 g/mol
- Monoisotopic mass
- 409.1281078
Overview
an mGluR2 modulator; structure in first source
Names & identifiers
- Preferred name
- Gsk1331258
- IUPAC
- 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1-methylbenzimidazole
Names & synonyms
GSK13312581207197-68-9GSK 1331258GSK-13312582-({4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methyl)-1-methyl-1H-1,3-benzodiazole2-((4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methyl)-1-methyl-1H-1,3-benzodiazoleRefChem:144498CHEMBL605836GTPL6252SCHEMBL24606221SCHEMBL29709278BQOUGDGGUWVLTD-UHFFFAOYSA-N
Show more names
BDBM50415291AKOS0407484562-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1-methylbenzimidazoleNCGC00655638-01Q27077868
Database identifiers
- CAS
1207197-68-9- PubChem CID
- 46190877
- ChEMBL
CHEMBL605836
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 37.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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