Basic information
- Standard SMILES
CC(C)(C)n1c(-c2cc(-c3nn[nH]n3)ccc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21- InChIKey
BUTMNCHAANSEDD-UHFFFAOYSA-N- Molecular formula
- C24H22N12
- Average molar mass
- 478.5 g/mol
- Monoisotopic mass
- 478.20903875
Names & identifiers
- Preferred name
- 5-{1-tert-Butyl-2-[5-(2H-tetrazol-5-yl)-2-[1,2,4]triazol-1-yl-phenyl]-1H-benzoimidazol-5-yl}-pyrimidin-2-ylamine
- IUPAC
- 5-[1-tert-butyl-2-[5-(2H-tetrazol-5-yl)-2-(1,2,4-triazol-1-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine
Names & synonyms
SCHEMBL1956424BUTMNCHAANSEDD-UHFFFAOYSA-N5-{1-tert-Butyl-2-[5-(2H-tetrazol-5-yl)-2-[1,2,4]triazol-1-yl-phenyl]-1H-benzoimidazol-5-yl}-pyrimidin-2-ylamine
Database identifiers
- PubChem CID
- 53238299
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 739
Related reactions
1 records
Compound notes
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