Methyl 1,2-dimethyl-1H-benzo[d]imidazole-5-carboxylate
Basic information
- CAS
256936-11-5- Standard SMILES
COC(=O)c1ccc2c(c1)nc(C)n2C- InChIKey
JUEIIGFUWKREDV-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.08987763
Names & identifiers
- Preferred name
- Methyl 1,2-dimethyl-1H-benzo[d]imidazole-5-carboxylate
- IUPAC
- methyl 1,2-dimethylbenzimidazole-5-carboxylate
- English name
- Methyl 1,2-diMethyl-1H-benzo[d]iMidazole-5-carboxylate
- Molecular formula
- C11H12N2O2
- Molecular weight
- 204.23
Names & synonyms
256936-11-5Methyl 1,2-dimethyl-1H-benzo[d]imidazole-5-carboxylatemethyl 1,2-dimethylbenzimidazole-5-carboxylatemethyl 1,2-dimethyl-1H-1,3-benzimidazole-5-carboxylatemethyl 1,2-dimethyl-1,3-benzodiazole-5-carboxylateMFCD13193112SCHEMBL31489DTXSID50621360JUEIIGFMethyl1,2-dimethyl-1H-benzo[d]imidazole-5-carboxylateSCHEMBL29989068JUEIIGFUWKREDV-UHFFFAOYSA-N
Show more names
Methyl 1,2-diMethyl-1H-1,3-benzodiazole-5- carboxylate1, 2-dimethyl-1h-benzo [d] imidazole-5-carboxylate methyl ester1H-BenziMidazole-5-carboxylic acid, 1,2-diMethyl-, Methyl ester
SBB093316AKOS005073259KD-0758SY108014DB-334733CS-0100532D76128F321436
Database identifiers
- CAS
256936-11-5- PubChem CID
- 21998749
- DTXSID
DTXSID50621360
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 161 · 161~163℃
- Boiling point
- 364.2 · 364.2±15.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 5.51 · 5.51±0.25(Predicted)
- Appearance
- White to off-white Solid
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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