1-Allenylbenzimidazole
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Basic information
- CAS
55475-63-3- Standard SMILES
C=C=Cn1cnc2ccccc21- InChIKey
PNKDIHXLEIYMLW-UHFFFAOYSA-N- Molecular formula
- C10H8N2
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.06874826
Names & identifiers
- Preferred name
- 1-Allenylbenzimidazole
- IUPAC
- 1-propa-1,2-dienylbenzimidazole
- English name
- 1H-Benzimidazole,1-(1,2-propadienyl)-(9CI)
- Molecular formula
- C10H8N2
- Molecular weight
- 156.18
Names & synonyms
1-allenylbenzimidazole1H-Benzimidazole, 1-(1,2-propadien-1-yl)-1H-Benzimidazole,1-(1,2-propadienyl)-(9CI)
Database identifiers
- CAS
55475-63-3- PubChem CID
- 45078355
- Nikkaji
- J3.535.455G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 332.8 · 332.8±25.0 °C(Predicted)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- pka
- 4.52 · 4.52±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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