1-[(1H-Imidazol-5-yl)methyl]-6-(methylsulfanyl)-2,3-dihydro-1H-indole
Basic information
- CAS
927426-96-8- Standard SMILES
CSc1ccc2c(c1)N(Cc1cnc[nH]1)CC2- InChIKey
NBVVJPJJUKTPQD-UHFFFAOYSA-N- Molecular formula
- C13H15N3S
- Average molar mass
- 245.35 g/mol
- Monoisotopic mass
- 245.09866866
Names & identifiers
- Preferred name
- 1-[(1H-Imidazol-5-yl)methyl]-6-(methylsulfanyl)-2,3-dihydro-1H-indole
- IUPAC
- 1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole
Names & synonyms
927426-96-8SCHEMBL12359478DTXSID405815201-[(1H-Imidazol-5-yl)methyl]-6-(methylsulfanyl)-2,3-dihydro-1H-indole
Database identifiers
- CAS
927426-96-8- PubChem CID
- 16048366
- DTXSID
DTXSID40581520
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
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Compound notes
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