Basic information
- Standard SMILES
N#Cc1ccc(Cc2cncn2Cc2ccc(-c3cccs3)nc2)cc1- InChIKey
ZREJGNYLWGQTAS-UHFFFAOYSA-N- Molecular formula
- C21H16N4S
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.1095677
Names & identifiers
- Preferred name
- 1-(2-(Thien-2-yl) pyrid-5-ylmethyl)-5-(4-cyanobenzyl)imidazole
- IUPAC
- 4-[[3-[(6-thiophen-2-yl-3-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile
Names & synonyms
SCHEMBL8171198ZREJGNYLWGQTAS-UHFFFAOYSA-N1-(2-(Thien-2-yl) pyrid-5-ylmethyl)-5-(4-cyanobenzyl)imidazole
Database identifiers
- PubChem CID
- 9906709
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 495
Related reactions
2 records
Compound notes
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