Basic information
- CAS
596807-97-5- Standard SMILES
Cc1ccc2c(S(C)(=O)=O)cn(CC3=NCCN3)c2c1- InChIKey
OJZCIZSSDZXJAU-UHFFFAOYSA-N- Molecular formula
- C14H17N3O2S
- Average molar mass
- 291.37 g/mol
- Monoisotopic mass
- 291.10414778
Names & identifiers
- Preferred name
- 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methanesulfonyl-6-methyl-1H-indole
- IUPAC
- 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6-methyl-3-methylsulfonylindole
Names & synonyms
SCHEMBL5732113OJZCIZSSDZXJAU-UHFFFAOYSA-NDTXSID3011384691-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methanesulfonyl-6-methyl-1H-indole596807-97-51-[(4,5-Dihydro-1H-imidazol-2-yl)methyl]-3-(methanesulfonyl)-6-methyl-1H-indole1-[(4,5-Dihydro-1H-imidazol-2-yl)methyl]-6-methyl-3-(methylsulfonyl)-1H-indole
Database identifiers
- CAS
596807-97-5- PubChem CID
- 12997441
- DTXSID
DTXSID301138469
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 497
Related reactions
1 records
Compound notes
Loading…