Basic information
- CAS
54980-92-6- Standard SMILES
NC(=O)Cn1cnc2ccccc21- InChIKey
JGUIKGIYNJGAGH-UHFFFAOYSA-N- Molecular formula
- C9H9N3O
- Average molar mass
- 175.19 g/mol
- Monoisotopic mass
- 175.07456192
Names & identifiers
- Preferred name
- 2-(1H-Benzimidazol-1-yl)acetamide
- IUPAC
- 2-(benzimidazol-1-yl)acetamide
- English name
- 1H-Benzimidazole-1-acetamide(9CI)
- Molecular formula
- C9H9N3O
- Molecular weight
- 175.19
Names & synonyms
54980-92-62-(1H-Benzimidazol-1-yl)acetamide2-(benzimidazol-1-yl)acetamide1h-benzimidazole-1-acetamide2-(1H-benzo[d]imidazol-1-yl)acetamide2-(1H-1,3-benzodiazol-1-yl)acetamideMFCD021285632-benzimidazolylacetamideF0852-0030SCHEMBL1038315SCHEMBL18765143DTXSID90342587
Show more names
1H-Benzimidazole-1-acetamide(9CI)
JGUIKGIYNJGAGH-UHFFFAOYSA-NHMS1634F08Acetamide, 2-(1-benzimidazolyl)-SMSSF-0596094ALBB-028671SBB045122STK825759AKOS000275531
Database identifiers
- CAS
54980-92-6- PubChem CID
- 583140
- DTXSID
DTXSID90342587
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 432.3 · 432.3±47.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 15.89 · 15.89±0.40(Predicted)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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