Basic information
- CAS
356587-78-5- Standard SMILES
COc1ccc2nc(SCC(=O)Nc3cccc(C)c3)[nH]c2c1- InChIKey
QCUWPEMSLPUGFG-UHFFFAOYSA-N- Molecular formula
- C17H17N3O2S
- Average molar mass
- 327.4 g/mol
Names & identifiers
- Preferred name
- 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
- IUPAC
- 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
- English name
- 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
- Molecular formula
- C17H17N3O2S
- Molecular weight
- 327.4
Names & synonyms
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide356587-78-52-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamideCambridge id 6035641Oprea1_124303Oprea1_329243Oprea1_428431STK109316ZINC00215908AKOS003244964AKOS005397868AJ-292/13489004
Show more names
Acetamide, 2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-N-(3-methylphenyl)-
SR-01000575561SR-01000575561-12-((5-methoxy-1H-benzo[d]imidazol-2-yl)thio)-N-(m-tolyl)acetamide2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-N-(3-methylphenyl)acetamide
Database identifiers
- CAS
356587-78-5
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 9.81 · 9.81±0.10(Predicted)
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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