2-[8-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]-6H-benzo[c][1]benzoxepin-11-ylidene]propanenitrile
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Basic information
- Standard SMILES
CCc1nc2c(C)cc(C)cc2n1Cc1ccc2c(c1)COc1ccccc1C2=C(C)C#N- InChIKey
RPVGNFCBWFUQIG-UHFFFAOYSA-N- Molecular formula
- C29H27N3O
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.21541249
Names & identifiers
- Preferred name
- 2-[8-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]-6H-benzo[c][1]benzoxepin-11-ylidene]propanenitrile
- IUPAC
- 2-[8-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]-6H-benzo[c][1]benzoxepin-11-ylidene]propanenitrile
Names & synonyms
SCHEMBL4360861
Database identifiers
- PubChem CID
- 69016151
Properties
Computed structural propertiesFilling in
- XLogP
- 5.9
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 783
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Related reactions
1 records
Compound notes
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