Basic information
- Standard SMILES
O=C(O)c1cc(N2CCOCC2)cc2c1nc(C(F)F)n2Cc1cccc(Cl)c1Cl- InChIKey
KGIXCKIXJBMRCE-UHFFFAOYSA-N- Molecular formula
- C20H17Cl2F2N3O3
- Average molar mass
- 456.3 g/mol
- Monoisotopic mass
- 455.0615031
Names & identifiers
- Preferred name
- 1-[(2,3-dichlorophenyl)methyl]-2-(difluoromethyl)-6-(4-morpholinyl)-1H-benzimidazole-4-carboxylic acid
- IUPAC
- 1-[(2,3-dichlorophenyl)methyl]-2-(difluoromethyl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
Names & synonyms
1-[(2,3-dichlorophenyl)methyl]-2-(difluoromethyl)-6-(4-morpholinyl)-1H-benzimidazole-4-carboxylic acidSCHEMBL1281544
Database identifiers
- PubChem CID
- 56960686
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 614
Related reactions
7 records
Compound notes
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