1H-Imidazole-2-methanol, 1-((3-aminophenyl)methyl)-5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-
Basic information
- CAS
178980-11-5- Standard SMILES
CC(C)c1nc(CO)n(Cc2cccc(N)c2)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
PAWWYFAUNPYVSM-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-((3-aminophenyl)methyl)-5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-
- IUPAC
- [1-[(3-aminophenyl)methyl]-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methanol
Names & synonyms
178980-11-51H-Imidazole-2-methanol, 1-((3-aminophenyl)methyl)-5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1H-Imidazole-2-methanol, 1-[(3-aminophenyl)methyl]-5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-SCHEMBL6966952DTXSID70170704PAWWYFAUNPYVSM-UHFFFAOYSA-N1-(m-aminobenzyl)-5-(3,5-dichlorophenylthio)-2-hydroxymethyl-4-isopropyl-1H-imidazole[1-[(3-aminophenyl)methyl]-5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-imidazol-2-yl]methanol{1-[(3-Aminophenyl)methyl]-5-[(3,5-dichlorophenyl)sulfanyl]-4-(propan-2-yl)-1H-imidazol-2-yl}methanol
Database identifiers
- CAS
178980-11-5- PubChem CID
- 474033
- DTXSID
DTXSID70170704
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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