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

HCID 474035

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

Related reactions

3 records

Compound notes

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