[1-[(4-Tert-butylphenyl)methyl]-5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-imidazol-2-yl]methanol
Basic information
- CAS
178980-09-1- Standard SMILES
CC(C)c1nc(CO)n(Cc2ccc(C(C)(C)C)cc2)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
KXROMBBHYSNUDG-UHFFFAOYSA-N- Molecular formula
- C24H28Cl2N2OS
- Average molar mass
- 463.5 g/mol
- Monoisotopic mass
- 462.1299401
Names & identifiers
- Preferred name
- [1-[(4-Tert-butylphenyl)methyl]-5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-imidazol-2-yl]methanol
- IUPAC
- [1-[(4-tert-butylphenyl)methyl]-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methanol
Names & synonyms
178980-09-1DTXSID30939157[1-[(4-tert-butylphenyl)methyl]-5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-imidazol-2-yl]methanol{1-[(4-tert-Butylphenyl)methyl]-5-[(3,5-dichlorophenyl)sulfanyl]-4-(propan-2-yl)-1H-imidazol-2-yl}methanol1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]-4-(1-methylethyl)-
Database identifiers
- CAS
178980-09-1- PubChem CID
- 474028
- DTXSID
DTXSID30939157
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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