tert-Butyl 4-((5-cyano-1H-benzo[d]imidazol-2-yl)methyl)-5-methoxy-7-methyl-1H-indole-1-carboxylate
Basic information
- Standard SMILES
COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1Cc1nc2cc(C#N)ccc2[nH]1- InChIKey
BOPIBTLEDQNWGS-UHFFFAOYSA-N- Molecular formula
- C24H24N4O3
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.18484064
Names & identifiers
- Preferred name
- tert-Butyl 4-((5-cyano-1H-benzo[d]imidazol-2-yl)methyl)-5-methoxy-7-methyl-1H-indole-1-carboxylate
- IUPAC
- tert-butyl 4-[(6-cyano-1H-benzimidazol-2-yl)methyl]-5-methoxy-7-methylindole-1-carboxylate
Names & synonyms
SCHEMBL15365902BOPIBTLEDQNWGS-UHFFFAOYSA-Ntert-Butyl 4-((5-cyano-1H-benzo[d]imidazol-2-yl)methyl)-5-methoxy-7-methyl-1H-indole-1-carboxylate
Database identifiers
- PubChem CID
- 86701483
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 713
Related reactions
2 records
Compound notes
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