Basic information
- CAS
178980-12-6- Standard SMILES
CC(C)c1nc(CO)n(Cc2ccccc2N)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
SHKPIQFDZLQIHU-UHFFFAOYSA-N- Molecular formula
- C20H21Cl2N3OS
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 421.0782389
Names & identifiers
- Preferred name
- 1H-Imidazole-2-methanol, 1-((2-aminophenyl)methyl)-5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-
- IUPAC
- [1-[(2-aminophenyl)methyl]-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methanol
Names & synonyms
178980-12-61H-Imidazole-2-methanol, 1-((2-aminophenyl)methyl)-5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1H-Imidazole-2-methanol, 1-[(2-aminophenyl)methyl]-5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-SCHEMBL6960543DTXSID30170705SHKPIQFDZLQIHU-UHFFFAOYSA-N1-(o-aminobenzyl)-5-(3,5-dichlorophenylthio)-2-hydroxymethyl-4-isopropyl-1H-imidazole[1-[(2-aminophenyl)methyl]-5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-imidazol-2-yl]methanol{1-[(2-Aminophenyl)methyl]-5-[(3,5-dichlorophenyl)sulfanyl]-4-(propan-2-yl)-1H-imidazol-2-yl}methanol
Database identifiers
- CAS
178980-12-6- PubChem CID
- 474035
- DTXSID
DTXSID30170705
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 463
Related reactions
3 records
Compound notes
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