Basic information
- Standard SMILES
CC(C)(C)n1c(-c2ccc(O)cc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21- InChIKey
QUUIQUAJIHKFQH-UHFFFAOYSA-N- Molecular formula
- C23H22N8O
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.19165736
Names & identifiers
- Preferred name
- 4-[5-(2-Amino-pyrimidin-5-yl)-1-tert-butyl-1H-benzoimidazol-2-yl]-3-[1,2,4]-triazol-1-yl-phenol
- IUPAC
- 4-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-3-(1,2,4-triazol-1-yl)phenol
Names & synonyms
SCHEMBL1954853QUUIQUAJIHKFQH-UHFFFAOYSA-N4-[5-(2-Amino-pyrimidin-5-yl)-1-tert-butyl-1H-benzoimidazol-2-yl]-3-[1,2,4]-triazol-1-yl-phenol
Database identifiers
- PubChem CID
- 136197459
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 636
Related reactions
2 records
Compound notes
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