Basic information
- CAS
178980-78-4- Standard SMILES
CC(C)c1nc(CCOCc2ccccc2)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
JIUXOMQRVAIPIU-UHFFFAOYSA-N- Molecular formula
- C27H27Cl2N3OS
- Average molar mass
- 512.5 g/mol
- Monoisotopic mass
- 511.1251891
Names & identifiers
- Preferred name
- Pyridine, 4-((5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-2-(2-(phenylmethoxy)ethyl)-1H-imidazol-1-yl)methyl)-
- IUPAC
- 4-[[5-(3,5-dichlorophenyl)sulfanyl-2-(2-phenylmethoxyethyl)-4-propan-2-ylimidazol-1-yl]methyl]pyridine
Names & synonyms
178980-78-4Pyridine, 4-((5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-2-(2-(phenylmethoxy)ethyl)-1H-imidazol-1-yl)methyl)-Pyridine, 4-[[5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-2-[2-(phenylmethoxy)ethyl]-1H-imidazol-1-yl]methyl]-4-[[2-(2-benzyloxyethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-imidazol-1-yl]methyl]pyridineSCHEMBL7084679DTXSID80170755JIUXOMQRVAIPIU-UHFFFAOYSA-N4-({2-[2-(Benzyloxy)ethyl]-5-[(3,5-dichlorophenyl)sulfanyl]-4-(propan-2-yl)-1H-imidazol-1-yl}methyl)pyridine4-[2-(2-benzyloxyethyl)-5-(3,5-dichlorophenylthio)-4-isopropyl-1H-imidazol-1-ylmethy]pyridine
Database identifiers
- CAS
178980-78-4- PubChem CID
- 474064
- DTXSID
DTXSID80170755
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 578
Related reactions
1 records
Compound notes
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