Basic information
- CAS
848925-08-6- Standard SMILES
O=c1[nH]c2ccc(C(c3ccccc3)n3ccnc3)cc2s1- InChIKey
YUIAEBQBJVHDKE-UHFFFAOYSA-N- Molecular formula
- C17H13N3OS
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.07793322
Names & identifiers
- Preferred name
- 6-[(1H-Imidazol-1-yl)(phenyl)methyl]-1,3-benzothiazol-2(3H)-one
- IUPAC
- 6-[imidazol-1-yl(phenyl)methyl]-3H-1,3-benzothiazol-2-one
Names & synonyms
848925-08-6SCHEMBL5467872DTXSID807303586-[(1H-Imidazol-1-yl)(phenyl)methyl]-1,3-benzothiazol-2(3H)-one
Database identifiers
- CAS
848925-08-6- PubChem CID
- 58828708
- DTXSID
DTXSID80730358
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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