2-Benzylsulfanyl-5-methoxy-1-methylbenzimidazole
Basic information
- CAS
327104-07-4- Standard SMILES
COc1ccc2c(c1)nc(SCc1ccccc1)n2C- InChIKey
JILHGFPTXHNEIO-UHFFFAOYSA-N- Molecular formula
- C16H16N2OS
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.09833431
Names & identifiers
- Preferred name
- 2-Benzylsulfanyl-5-methoxy-1-methylbenzimidazole
- IUPAC
- 2-benzylsulfanyl-5-methoxy-1-methylbenzimidazole
Names & synonyms
327104-07-41H-Benzimidazole, 5-methoxy-1-methyl-2-[(phenylmethyl)thio]-AE-848/364370582-benzylsulfanyl-5-methoxy-1-methylbenzimidazoleCBMicro_026890Cambridge id 56495122-(benzylthio)-5-methoxy-1-methyl-1H-benzimidazoleSCHEMBL4650167DTXSID20353560HMS1610L19AKOS001020182CCG-107197
Show more names
BIM-0026974.P001EU-0005626SR-01000439537SR-01000439537-1Z567934352-(benzylsulfanyl)-5-methoxy-1-methyl-1H-benzimidazole2-(benzylsulfanyl)-1-methyl-1H-benzimidazol-5-yl methyl ether2-(Benzylsulfanyl)-5-methoxy-1-methyl-1H-1,3-benzimidazole
Database identifiers
- CAS
327104-07-4- PubChem CID
- 745097
- DTXSID
DTXSID20353560
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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