Basic information
- Standard SMILES
Cc1ccn(S(=O)(=O)c2ccc3c(c2)nc(C(C)(C)C)n3CC2CCOCC2)n1- InChIKey
ITPTVVDSLQAQSL-UHFFFAOYSA-N- Molecular formula
- C21H28N4O3S
- Average molar mass
- 416.5 g/mol
Names & identifiers
- Preferred name
- 2-tert-Butyl-5-[(3-methyl-1H-pyrazol-1-yl)sulfonyl]-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazole
- IUPAC
- 2-tert-butyl-5-(3-methylpyrazol-1-yl)sulfonyl-1-(oxan-4-ylmethyl)benzimidazole
Names & synonyms
2-tert-Butyl-5-[(3-methyl-1H-pyrazol-1-yl)sulfonyl]-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazoleSCHEMBL1609984ITPTVVDSLQAQSL-UHFFFAOYSA-N952671-95-3DB-338760
Database identifiers
- PubChem CID
- 23659907
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 668
Related reactions
2 records
Compound notes
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