Basic information
- Standard SMILES
CN(C)C(=O)COc1cc(Cl)c(-c2nc3ccc(C(=O)Nc4ccc5ccccc5n4)cc3[nH]2)c(Cl)c1- InChIKey
OTAPEBUCUYPSDK-UHFFFAOYSA-N- Molecular formula
- C27H21Cl2N5O3
- Average molar mass
- 534.4 g/mol
- Monoisotopic mass
- 533.1021449
Names & identifiers
- Preferred name
- 2-(2,6-Dichloro-4-dimethylcarbamoylmethoxyphenyl)-3H-benzoimidazole-5-carboxylic acid quinolin-2-ylamide
- IUPAC
- 2-[2,6-dichloro-4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
Names & synonyms
SCHEMBL1250951OTAPEBUCUYPSDK-UHFFFAOYSA-N2-(2,6-Dichloro-4-dimethylcarbamoylmethoxyphenyl)-3H-benzoimidazole-5-carboxylic acid quinolin-2-ylamide
Database identifiers
- PubChem CID
- 66965804
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 807
Related reactions
1 records
Compound notes
Loading…