Basic information
- Standard SMILES
CCCCCS(=O)(=O)NC(=O)c1ccc2nc(C)n(Cc3cc4ccccc4cn3)c2c1- InChIKey
MJVCCSQKBCQTLY-UHFFFAOYSA-N- Molecular formula
- C24H26N4O3S
- Average molar mass
- 450.6 g/mol
Names & identifiers
- Preferred name
- 1-(Isoquinolin-3-ylmethyl)-2-methyl-6-(1-pentane-sulfonylcarbamoyl)benzimidazole
- IUPAC
- 3-(isoquinolin-3-ylmethyl)-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide
Names & synonyms
SCHEMBL7651143MJVCCSQKBCQTLY-UHFFFAOYSA-N1-(Isoquinolin-3-ylmethyl)-2-methyl-6-(1-pentane-sulfonylcarbamoyl)benzimidazole
Database identifiers
- PubChem CID
- 9846594
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 740
Related reactions
2 records
Compound notes
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