2-[2-[2-(4-Chlorophenyl)-5-methoxy-phenyl]-6-quinolyl]-1-(tetrahydrofuran-2-ylmethyl)benzimidazole-5-carboxylic acid
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Basic information
- Standard SMILES
COc1ccc(-c2ccc(Cl)cc2)c(-c2ccc3cc(-c4nc5cc(C(=O)O)ccc5n4CC4CCCO4)ccc3n2)c1- InChIKey
ZDOXUUMHTBISLC-UHFFFAOYSA-N- Molecular formula
- C35H28ClN3O4
- Average molar mass
- 590.1 g/mol
- Monoisotopic mass
- 589.1768341
Names & identifiers
- Preferred name
- 2-[2-[2-(4-Chlorophenyl)-5-methoxy-phenyl]-6-quinolyl]-1-(tetrahydrofuran-2-ylmethyl)benzimidazole-5-carboxylic acid
- IUPAC
- 2-[2-[2-(4-chlorophenyl)-5-methoxyphenyl]quinolin-6-yl]-1-(oxolan-2-ylmethyl)benzimidazole-5-carboxylic acid
Names & synonyms
SCHEMBL13904844ZDOXUUMHTBISLC-UHFFFAOYSA-N1H-Benzimidazole-5-carboxylic acid, 2-[2-(4'-chloro-4-methoxy[1,1'-biphenyl]-2-yl)-6-quinolinyl]-1-[(tetrahydro-2-furanyl)methyl]-2-[2-(4'-chloro-4-methoxy-biphen-2-yl)-quinolin-6-yl]-1-(tetrahydrofuran-2-yl-methyl)-1H-benzoimidazole-5-carboxylic acid2-[2-[2-(4-chlorophenyl)-5-methoxy-phenyl]-6-quinolyl]-1-(tetrahydrofuran-2-ylmethyl)benzimidazole-5-carboxylic acid
Database identifiers
- PubChem CID
- 5276151
Properties
Computed structural propertiesFilling in
- XLogP
- 7.1
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 948
Related reactions
1 records
Compound notes
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