2-(4-(3-(1H-benzo[d]imidazol-2-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-yl)phenyl)-2-methylpropanenitrile
Basic information
- Standard SMILES
CC(C)(C#N)c1ccc(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3C2CCCCO2)cc1- InChIKey
WULNDADPCSVOPE-UHFFFAOYSA-N- Molecular formula
- C29H27N5O
- Average molar mass
- 461.6 g/mol
Names & identifiers
- Preferred name
- 2-(4-(3-(1H-benzo[d]imidazol-2-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-yl)phenyl)-2-methylpropanenitrile
- IUPAC
- 2-[4-[3-(1H-benzimidazol-2-yl)-1-(oxan-2-yl)indazol-5-yl]phenyl]-2-methylpropanenitrile
Names & synonyms
SCHEMBL12813141WULNDADPCSVOPE-UHFFFAOYSA-N2-(4-(3-(1H-benzo[d]imidazol-2-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-yl)phenyl)-2-methylpropanenitrile
Database identifiers
- PubChem CID
- 136352249
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 785
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Related reactions
4 records
Compound notes
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