Basic information
- Standard SMILES
CCCc1nc2cc(N(Cc3ccccc3)C(=O)c3cccc(Cl)c3)ccc2n1CC(=O)OC(C)(C)C- InChIKey
QJUYKWHLNXEKSB-UHFFFAOYSA-N- Molecular formula
- C30H32ClN3O3
- Average molar mass
- 518 g/mol
Names & identifiers
- Preferred name
- {5-[Benzyl-(3-chloro-benzoyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[5-[benzyl-(3-chlorobenzoyl)amino]-2-propylbenzimidazol-1-yl]acetate
Names & synonyms
SCHEMBL1884538QJUYKWHLNXEKSB-UHFFFAOYSA-N{5-[Benzyl-(3-chloro-benzoyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67199868
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 766
Related reactions
4 records
Compound notes
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