Basic information
- Standard SMILES
CCSc1ncc(C#N)c(-n2cnc3ccccc32)n1- InChIKey
FBGIJIZTKODQFL-UHFFFAOYSA-N- Molecular formula
- C14H11N5S
- Average molar mass
- 281.34 g/mol
- Monoisotopic mass
- 281.07351655
Names & identifiers
- Preferred name
- 2-Ethylthio-4-(benzimidazol-1-yl)-5-cyanopyrimidine
- IUPAC
- 4-(benzimidazol-1-yl)-2-ethylsulfanylpyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL7018943FBGIJIZTKODQFL-UHFFFAOYSA-N2-Ethylthio-4-(benzimidazol-1-yl)-5-cyanopyrimidine
Database identifiers
- PubChem CID
- 18375962
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 381
Related reactions
1 records
Compound notes
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