2-Butyl-1-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
Basic information
- Standard SMILES
CCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1- InChIKey
HJWOAOPDMJTTCO-UHFFFAOYSA-N- Molecular formula
- C44H38N6
- Average molar mass
- 650.8 g/mol
- Monoisotopic mass
- 650.31579524
Names & identifiers
- Preferred name
- 2-Butyl-1-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
- IUPAC
- 2-butyl-1-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
Names & synonyms
2-Butyl-1-[(2'-(2-triphenylmethyl-2H-tetrazol-5-yl)biphenyl-4-yl)methyl]benzimidazoleHJWOAOPDMJTTCO-UHFFFAOYSA-NSCHEMBL91938282-butyl-1-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazoleAQ-405/423004332-butyl-1-{[2'-(2-trityl-2H-tetraazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1H-benzimidazole
Database identifiers
- PubChem CID
- 4286583
Properties
Computed structural properties
- XLogP
- 11
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 964
Related reactions
2 records
Compound notes
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