4-{2-(2,4-dichlorophenyl)-5-methyl-4-[(piperidin-1-ylamino)carbonyl]-1H-imidazol-1-yl}phenyl 3-methylbutane-1-sulfonate
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Basic information
- Standard SMILES
Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(C)C)cc1- InChIKey
AMNLOZBNQZKYPQ-UHFFFAOYSA-N- Molecular formula
- C27H32Cl2N4O4S
- Average molar mass
- 579.5 g/mol
- Monoisotopic mass
- 578.1521321
Names & identifiers
- Preferred name
- 4-{2-(2,4-dichlorophenyl)-5-methyl-4-[(piperidin-1-ylamino)carbonyl]-1H-imidazol-1-yl}phenyl 3-methylbutane-1-sulfonate
- IUPAC
- [4-[2-(2,4-dichlorophenyl)-5-methyl-4-(piperidin-1-ylcarbamoyl)imidazol-1-yl]phenyl] 3-methylbutane-1-sulfonate
Names & synonyms
CHEMBL4089947SCHEMBL3080646AMNLOZBNQZKYPQ-UHFFFAOYSA-NBDBM502435934-{2-(2,4-dichlorophenyl)-5-methyl-4-[(piperidin-1-ylamino)carbonyl]-1H-imidazol-1-yl}phenyl 3-methylbutane-1-sulfonate
Database identifiers
- PubChem CID
- 11699838
- ChEMBL
CHEMBL4089947
Properties
Computed structural propertiesFilling in
- XLogP
- 6.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 875
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Related reactions
2 records
Compound notes
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