Basic information
- Standard SMILES
Cn1c(C2CNC2)nc2ccccc21- InChIKey
UYKBOAMBZWBHIX-UHFFFAOYSA-N- Molecular formula
- C11H13N3
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.11094743
Names & identifiers
- Preferred name
- 2-(azetidin-3-yl)-1-methyl-1H-1,3-benzodiazole
- IUPAC
- 2-(azetidin-3-yl)-1-methylbenzimidazole
Names & synonyms
1429752-95-32-(azetidin-3-yl)-1-methyl-1H-1,3-benzodiazoleSCHEMBL14844615UYKBOAMBZWBHIX-UHFFFAOYSA-NDB-1035242-(azetidin-3-yl)-1-methyl-1H-benzimidazoleEN300-2668628
Database identifiers
- PubChem CID
- 89488176
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 29.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Related reactions
4 records
Compound notes
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