Basic information
- Standard SMILES
CCCC(OC(=O)n1c(-c2cscn2)nc2ccccc21)C1CCCCC1- InChIKey
PLHYQOGCSALJAA-UHFFFAOYSA-N- Molecular formula
- C21H25N3O2S
- Average molar mass
- 383.5 g/mol
Names & identifiers
- Preferred name
- 1-(1-Cyclohexyl-1-butoxycarbonyl)-2-(4-thiazolyl)-benzimidazole
- IUPAC
- 1-cyclohexylbutyl 2-(1,3-thiazol-4-yl)benzimidazole-1-carboxylate
Names & synonyms
SCHEMBL11750919PLHYQOGCSALJAA-UHFFFAOYSA-N1-(1-Cyclohexyl-1-butoxycarbonyl)-2-(4-thiazolyl)-benzimidazole
Database identifiers
- PubChem CID
- 21441748
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 500
Related reactions
2 records
Compound notes
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