Methyl 3-[[2-(cyanomethylidene)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]-7-methyl-2-propylbenzimidazole-5-carboxylate
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Basic information
- Standard SMILES
CCCc1nc2c(C)cc(C(=O)OC)cc2n1Cc1ccc2c(c1)CCc1ccccc1C2=CC#N- InChIKey
CKMUIOFZJDWKGG-UHFFFAOYSA-N- Molecular formula
- C31H29N3O2
- Average molar mass
- 475.6 g/mol
- Monoisotopic mass
- 475.22597718
Names & identifiers
- Preferred name
- Methyl 3-[[2-(cyanomethylidene)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]-7-methyl-2-propylbenzimidazole-5-carboxylate
- IUPAC
- methyl 3-[[2-(cyanomethylidene)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]-7-methyl-2-propylbenzimidazole-5-carboxylate
Names & synonyms
SCHEMBL1916995
Database identifiers
- PubChem CID
- 67210312
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 861
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Related reactions
2 records
Compound notes
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