Basic information
- Standard SMILES
CC(=O)Nc1cc(-n2cccc2)cc(-n2cnc3cc(-c4cn(C)nn4)ccc32)c1- InChIKey
ITAPPFQEIQFYJF-UHFFFAOYSA-N- Molecular formula
- C22H19N7O
- Average molar mass
- 397.4 g/mol
Names & identifiers
- Preferred name
- N-(3-(5-(1-methyl-1H-1,2,3-triazol-4-yl)-1H-benzo[d]imidazol-1-yl)-5-(1H-pyrrol-1-yl)phenyl)acetamide
- IUPAC
- N-[3-[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]-5-pyrrol-1-ylphenyl]acetamide
Names & synonyms
SCHEMBL14863212ITAPPFQEIQFYJF-UHFFFAOYSA-NN-(3-(5-(1-methyl-1H-1,2,3-triazol-4-yl)-1H-benzo[d]imidazol-1-yl)-5-(1H-pyrrol-1-yl)phenyl)acetamide
Database identifiers
- PubChem CID
- 89501302
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 612
Related reactions
2 records
Compound notes
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