Methyl 4-{7-amino-2-[(2,4-dichlorophenyl)amino]-1H-benzimidazol-1-yl}-3-hydroxybutanoate
Basic information
- Standard SMILES
COC(=O)CC(O)Cn1c(Nc2ccc(Cl)cc2Cl)nc2cccc(N)c21- InChIKey
ODDRKEASOXHAOJ-UHFFFAOYSA-N- Molecular formula
- C18H18Cl2N4O3
- Average molar mass
- 409.3 g/mol
Names & identifiers
- Preferred name
- Methyl 4-{7-amino-2-[(2,4-dichlorophenyl)amino]-1H-benzimidazol-1-yl}-3-hydroxybutanoate
- IUPAC
- methyl 4-[7-amino-2-(2,4-dichloroanilino)benzimidazol-1-yl]-3-hydroxybutanoate
Names & synonyms
SCHEMBL3724655ODDRKEASOXHAOJ-UHFFFAOYSA-NMethyl 4-{7-amino-2-[(2,4-dichlorophenyl)amino]-1H-benzimidazol-1-yl}-3-hydroxybutanoate
Database identifiers
- PubChem CID
- 68762018
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 515
Related reactions
4 records
Compound notes
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