Methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate
Basic information
- CAS
306278-47-7- Standard SMILES
CCn1c(C)nc2cc(C(=O)OC)ccc21- InChIKey
CLJIRVRIUQJCQU-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.10552769
Names & identifiers
- Preferred name
- Methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate
- IUPAC
- methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate
- English name
- Methyl 1-ethyl-2-MethylbenziMidazole-5-carboxylate
- Molecular formula
- C12H14N2O2
- Molecular weight
- 218.25
Names & synonyms
306278-47-7methyl 1-ethyl-2-methylbenzimidazole-5-carboxylateMethyl 1-ethyl-2-methyl-1H-benzo[d]imidazole-5-carboxylatemethyl 1-ethyl-2-methyl-1H-1,3-benzodiazole-5-carboxylate1H-Benzimidazole-5-carboxylic acid, 1-ethyl-2-methyl-, methyl esterEnamine_002363MLS000711211SCHEMBL1731129CHEMBL1605630DTXSID80351406Methyl1-ethyl-2-methyl-1H-benzo[d]imidazole-5-carboxylateCLJIRVRIUQJCQU-UHFFFAOYSA-N
Show more names
HMS1400L09HMS2655I10HMS5088G051-Ethyl-2-methyl-1H-benzoimidazole-5-carboxylic acid methyl esterMFCD00454166STK354650XH0252AKOS000536039
Database identifiers
- CAS
306278-47-7- PubChem CID
- 699512
- DTXSID
DTXSID80351406- ChEMBL
CHEMBL1605630
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Experimental & physicochemical properties
Solubility>32.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 373.6 · 373.6±15.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 5.49 · 5.49±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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