Basic information
- CAS
774510-09-7- Standard SMILES
O=C1C=Cc2[nH]cnc2C1- InChIKey
NEQBGJLPTYIIMM-UHFFFAOYSA-N- Molecular formula
- C7H6N2O
- Average molar mass
- 134.14 g/mol
- Monoisotopic mass
- 134.04801282
Names & identifiers
- Preferred name
- 3,4-Dihydro-5H-benzimidazol-5-one
- IUPAC
- 3,4-dihydrobenzimidazol-5-one
- English name
- 5H-Benzimidazol-5-one,1,4-dihydro-(9CI)
- Molecular formula
- C7H6N2O
- Molecular weight
- 134.14
Names & synonyms
774510-09-7DTXSID506690653,4-Dihydro-5H-benzimidazol-5-oneRefChem:271033DTXCID606198144H-Benzimidazol-5-ol1H-Benzo[d]imidazol-5(4H)-one4H-BENZO[D]IMIDAZOL-5-OL148832-39-7benzimidazole-5(4h)-oneSCHEMBL2218349SCHEMBL9760335
Show more names
5H-Benzimidazol-5-one, 1,4-dihydro-5H-Benzimidazol-5-one,1,4-dihydro-(9CI)
SCHEMBL9851253SCHEMBL107329503,4-Dihydro-5H-1,3-benzimidazol-5-oneDB-263096
Database identifiers
- CAS
774510-09-7- PubChem CID
- 45120756
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 429.1 · 429.1±24.0 °C(Predicted)
- Density
- 1.374 · 1.374±0.06 g/cm3(Predicted)
- pka
- 12.46 · 12.46±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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