Basic information
- Standard SMILES
Cc1cc(N2CCOCC2)cc(C)c1-c1nc2ccc(C(=O)O)cc2[nH]1- InChIKey
DKSGLELLDZBUNU-UHFFFAOYSA-N- Molecular formula
- C20H21N3O3
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.15829154
Names & identifiers
- Preferred name
- 2-(2,6-Dimethyl-4-morpholin-4-yl-phenyl)-3H-benzoimidazole-5-carboxylic acid
- IUPAC
- 2-(2,6-dimethyl-4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid
Names & synonyms
SCHEMBL1252797DKSGLELLDZBUNU-UHFFFAOYSA-N2-(2,6-Dimethyl-4-morpholin-4-yl -phenyl)-3H-benzoimidazole-5-carboxylic acid2-(2,6-Dimethyl-4-morpholin-4-yl-phenyl)-3H-benzoimidazole -5-carboxylic acid2-(2,6-Dimethyl-4-morpholin-4-yl-phenyl)-3H-benzoimidazole-5-carboxylic acid
Database identifiers
- PubChem CID
- 66966792
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 499
Related reactions
6 records
Compound notes
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