Basic information
- Standard SMILES
Cc1cc(CCCP(=O)(O)O)cc(C)c1-c1nc2ccc(C(=O)Nc3ccc4ccccc4n3)cc2[nH]1- InChIKey
NJJFGPCFHQFTLE-UHFFFAOYSA-N- Molecular formula
- C28H27N4O4P
- Average molar mass
- 514.5 g/mol
Names & identifiers
- Preferred name
- (3-{3,5-Dimethyl-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzoimidazol-2-yl]-phenyl}-propyl)-phosphonic acid
- IUPAC
- 3-[3,5-dimethyl-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]propylphosphonic acid
Names & synonyms
SCHEMBL1250082CHEMBL1683003NJJFGPCFHQFTLE-UHFFFAOYSA-N(3-{3,5-Dimethyl-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzoimidazol-2-yl]-phenyl}-propyl)-phosphonic acid
Database identifiers
- PubChem CID
- 53324137
- ChEMBL
CHEMBL1683003
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 827
Related reactions
1 records
Compound notes
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