Basic information
- Standard SMILES
COc1ccc(Cn2c(C)nc3c2C=Cc2ccccc2C3O)cc1- InChIKey
RXRBUPKBISSQJB-UHFFFAOYSA-N- Molecular formula
- C21H20N2O2
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.15247789
Names & identifiers
- Preferred name
- 2-Methyl-1-(4-methoxyphenylmethyl)-4H-benzo[5,6]cyclohepta[1,2-d]imidazol-4-ol
- IUPAC
- 6-[(4-methoxyphenyl)methyl]-5-methyl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-ol
Names & synonyms
SCHEMBL7506545RXRBUPKBISSQJB-UHFFFAOYSA-N2-Methyl-1-(4-methoxyphenylmethyl)-4H-benzo[5,6]cyclohepta[1,2-d]imidazol-4-ol
Database identifiers
- PubChem CID
- 22003671
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 475
Related reactions
2 records
Compound notes
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