1H-Imidazole-2-ethanol, 1-((2-aminophenyl)methyl)-5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-
Basic information
- CAS
178980-37-5- Standard SMILES
CC(C)c1nc(CCO)n(Cc2ccccc2N)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
KVNNQDRKCCQMOM-UHFFFAOYSA-N- Molecular formula
- C21H23Cl2N3OS
- Average molar mass
- 436.4 g/mol
- Monoisotopic mass
- 435.0938889
Names & identifiers
- Preferred name
- 1H-Imidazole-2-ethanol, 1-((2-aminophenyl)methyl)-5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-
- IUPAC
- 2-[1-[(2-aminophenyl)methyl]-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]ethanol
Names & synonyms
178980-37-51H-Imidazole-2-ethanol, 1-((2-aminophenyl)methyl)-5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1H-Imidazole-2-ethanol, 1-[(2-aminophenyl)methyl]-5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-SCHEMBL6969846DTXSID901707262-[1-[(2-aminophenyl)methyl]-5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-imidazol-2-yl]ethanol2-{1-[(2-Aminophenyl)methyl]-5-[(3,5-dichlorophenyl)sulfanyl]-4-(propan-2-yl)-1H-imidazol-2-yl}ethan-1-ol
Database identifiers
- CAS
178980-37-5- PubChem CID
- 474075
- DTXSID
DTXSID90170726
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 477
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Compound notes
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