1,3,5-Trimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
Basic information
- CAS
55327-67-8- Standard SMILES
Cc1ccc2c(c1)n(C)c(=O)n2C- InChIKey
ZKTCCUHXIBVVNU-UHFFFAOYSA-N- Molecular formula
- C10H12N2O
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.09496301
Names & identifiers
- Preferred name
- 1,3,5-Trimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
- IUPAC
- 1,3,5-trimethylbenzimidazol-2-one
- English name
- TIMTEC-BB SBB000194
- Molecular formula
- C10H12N2O
- Molecular weight
- 176.22
Names & synonyms
55327-67-81,3,5-TRIMETHYL-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-2-ONE1,3,5-trimethylbenzimidazol-2-one1,3,5-Trimethyl-1,3-dihydro-2H-benzimidazol-2-oneTIMTEC-BB SBB0001941,3,5-trimethyl-3-hydrobenzimidazol-2-oneSCHEMBL4350352H-Benzimidazol-2-one, 1,3-dihydro-1,3,5-trimethyl-DTXSID40344950ZKTCCUHXIBVVNU-UHFFFAOYSA-NSTK149502AKOS003264192
Show more names
1,3-Dihydro-1,3,5-trimethyl-2H-benzimidazol-2-one
AB08012ST013761CS-0240021EN300-2230311,3,5-Trimethyl-1,3-dihydro-benzoimidazol-2-one1,3,5-Trimethyl-1,3-dihydro-2H-benzimidazol-2-one #1,3,5-Trimethyl-1,3-dihydro-2H-1,3-benzimidazol-2-one1,3,5-TRIMETHYL-1H-BENZO[D]IMIDAZOL-2(3H)-ONE
Database identifiers
- CAS
55327-67-8- PubChem CID
- 600667
- DTXSID
DTXSID40344950- Nikkaji
- J1.205.979E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 276.6 · 276.6±10.0 °C(Predicted)
- Density
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- pka
- -0.2 · -0.20±0.20(Predicted)
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 22
- hazard_code
- Xn
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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