1H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((2-nitrophenyl)methyl)-

HCID 474034

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

Related reactions

5 records

Compound notes

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