2-(4-Chlorophenyl)-1H-benzimidazole-6-carboxylic acid
Basic information
- CAS
174422-14-1- Standard SMILES
O=C(O)c1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1- InChIKey
KFEDCUOAVSSAAS-UHFFFAOYSA-N- Molecular formula
- C14H9ClN2O2
- Average molar mass
- 272.68 g/mol
- Monoisotopic mass
- 272.0352552
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-1H-benzimidazole-6-carboxylic acid
- IUPAC
- 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylic acid
- English name
- 2-(4-Chloro-phenyl)-1H-benzimidazole-5-carboxylic acid
- Molecular formula
- C14H9ClN2O2
- Molecular weight
- 272.69
Names & synonyms
174422-14-1DTXSID204068082-(4-Chlorophenyl)-1H-benzimidazole-6-carboxylic acidRefChem:252170DTXCID803576602-(4-chlorophenyl)-1H-1,3-benzodiazole-5-carboxylic acid2-(4-chlorophenyl)-1H-benzo[d]imidazole-5-carboxylic acid2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylic acidMFCD002200892-(4-chlorophenyl)-1H-benzimidazole-5-carboxylic acid1H-Benzimidazole-6-carboxylic acid, 2-(4-chlorophenyl)-Oprea1_021604
Show more names
2-(4-Chloro-phenyl)-1H-benzimidazole-5-carboxylic acid2-(4-Chloro-phenyl)-1H-benzoimidazole-5-carboxylic acid
SCHEMBL3178995SCHEMBL11563729ZGA42214STL257219AKOS009356523AKOS025148597NS-04400CS-0224661
Database identifiers
- CAS
174422-14-1- PubChem CID
- 4915656
- DTXSID
DTXSID20406808- Nikkaji
- J2.695.124K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Melting point
- 165 · 165-168 °C
- Boiling point
- 545.1 · 545.1±56.0 °C(Predicted)
- Density
- 1.475 · 1.475±0.06 g/cm3(Predicted)
- pka
- 3.02 · 3.02±0.30(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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