Basic information
- CAS
178980-73-9- Standard SMILES
CC(C)c1nc(CO)n(Cc2ccccc2[N+](=O)[O-])c1Sc1cc(Cl)cc(Cl)c1- InChIKey
RCWRXNRCVRXRBM-UHFFFAOYSA-N- Molecular formula
- C20H19Cl2N3O3S
- Average molar mass
- 452.4 g/mol
- Monoisotopic mass
- 451.052418
Names & identifiers
- Preferred name
- 1H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((2-nitrophenyl)methyl)-
- IUPAC
- [5-(3,5-dichlorophenyl)sulfanyl-1-[(2-nitrophenyl)methyl]-4-propan-2-ylimidazol-2-yl]methanol
Names & synonyms
178980-73-91H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((2-nitrophenyl)methyl)-1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-[(2-nitrophenyl)methyl]-SCHEMBL6964071DTXSID80170750RCWRXNRCVRXRBM-UHFFFAOYSA-N5-(3,5-dichlorophenylthio)-2-hydroxymethyl-4-isopropyl-1-(o-nitrobenzyl)-1H-imidazole[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-[(2-nitrophenyl)methyl]imidazol-2-yl]methanol{5-[(3,5-Dichlorophenyl)sulfanyl]-1-[(2-nitrophenyl)methyl]-4-(propan-2-yl)-1H-imidazol-2-yl}methanol
Database identifiers
- CAS
178980-73-9- PubChem CID
- 474034
- DTXSID
DTXSID80170750
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 544
Related reactions
5 records
Compound notes
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