Basic information
- CAS
152628-00-7- Standard SMILES
CCCc1nc2c(C)cc(C(=O)OC)cc2[nH]1- InChIKey
DEFDQXCQBZEOGY-UHFFFAOYSA-N- Molecular formula
- C13H16N2O2
- Average molar mass
- 232.28 g/mol
Names & identifiers
- Preferred name
- 4-Methyl-2-propyl-1H-benzimidazole-6-carboxylic acid methyl ester
- English name
- 7-Methyl-2-propyl-1H-benzoimidazole-5-carboxylic acid methyl ester
- Molecular formula
- C13H16N2O2
- Molecular weight
- 232.28
Names & synonyms
Telmisartan Impurity 7Telmisartan Impurity 57Telmisartan EP Impurity 7Nicotinamide Impurity 225Telmisartan impurities10347-methyl-2-propyl-,methyl esterMethyl 2 propyl 4 Methyl benz iMidazole 6 carboxylateMETHYL 4-METHYL-2-PROPYL-1H-BENZIMIDAZOLE-6-CARBOXYLATEMethyl 7-Methyl-2-Propyl-1H-BenzoiMidazole-5-CarboxylateMethyl 4-Methyl-2-Propyl-1H-Benzoimidazole-5-Carboxylate
Database identifiers
- CAS
152628-00-7- PubChem CID
- 10130835
- UNII
- 6ATE8HY9GZ
- Nikkaji
- J1.645.366H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Melting point
- 202 · 202-204 °C(Solvent: Methanol)
- Boiling point
- 434.2 · 434.2±25.0 °C(Predicted)
- Density
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 11.26 · 11.26±0.30(Predicted)
- form
- Sticky Solid
- color
- Off-White to Pale Beige
Chemistry & industry
Applications
Uses4-Methyl-2-propyl-1H-benzimidazole-6-carboxylic Acid Methyl Ester is an intermediate in the synthesis of Telmisartan (T017000), an angiotensin II receptor antagonist.
Upstream & downstream products
Upstream raw materials
Related reactions
11 records
Compound notes
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