Basic information
- CAS
89426-88-0- Standard SMILES
COC(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1- InChIKey
PHZVAKSKMBVEHM-UHFFFAOYSA-N- Molecular formula
- C10H7F3N2O2
- Average molar mass
- 244.17 g/mol
- Monoisotopic mass
- 244.04596196
Names & identifiers
- Preferred name
- Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester
- IUPAC
- methyl 2-(trifluoromethyl)-3H-benzimidazole-5-carboxylate
- English name
- 2-TRIFLUOROMETHYL-1H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID METHYL ESTER
- Molecular formula
- C10H7F3N2O2
- Molecular weight
- 244.17
Names & synonyms
89426-88-02-(Trifluoromethyl)benzimidazole-5-carboxylic acid methyl esterBENZIMIDAZOLE-5-CARBOXYLIC ACID, 2-(TRIFLUOROMETHYL)-, METHYL ESTERDTXSID80237650RefChem:325996DTXCID30160141methyl 2-(trifluoromethyl)-1H-benzimidazole-5-carboxylateMFCD01658436methyl 2-(trifluoromethyl)-3H-benzimidazole-5-carboxylatemethyl 2-(trifluoromethyl)-1H-1,3-benzodiazole-5-carboxylateMethyl 2-(trifluoromethyl)-1H-benzo[d]imidazole-5-carboxylateMethyl 2-(trifluoromethyl)-1H-benzo[d]imidazole-6-carboxylate
Show more names
CBI-BB ZERO/001893Methyl 2-(Trifluromethyl)-1H-benzimidazole-5-carboxylate2-TRIFLUOROMETHYL-1H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID METHYL ESTER1H-Benzimidazole-6-carboxylic acid, 2-(trifluoromethyl)-, methyl ester
ST093136methyl 2-(trifluoromethyl)benzimidazole-5-carboxylateMLS000085983SCHEMBL6088752SCHEMBL9620029CHEMBL1599463methyl 2-(trifluoromethyl)-1H-benzoimidazole-5-carboxylateHMS2342D11
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Experimental & physicochemical properties
LogP3.52
Chemistry & industry
Suppliers3 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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