1H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-(3-quinolinylmethyl)-
Basic information
- CAS
178980-74-0- Standard SMILES
CC(C)c1nc(CO)n(Cc2cnc3ccccc3c2)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
AXPBBNPKRZEJBJ-UHFFFAOYSA-N- Molecular formula
- C23H21Cl2N3OS
- Average molar mass
- 458.4 g/mol
- Monoisotopic mass
- 457.0782389
Names & identifiers
- Preferred name
- 1H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-(3-quinolinylmethyl)-
- IUPAC
- [5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(quinolin-3-ylmethyl)imidazol-2-yl]methanol
Names & synonyms
178980-74-0(5-((3,5-Dichlorophenyl)thio)-4-isopropyl-1-(quinolin-3-ylmethyl)-1H-imidazol-2-yl)methanol1H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-(3-quinolinylmethyl)-1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-(3-quinolinylmethyl)-SCHEMBL6956997DTXSID40170751AXPBBNPKRZEJBJ-UHFFFAOYSA-N[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-(3-quinolylmethyl)imidazol-2-yl]methanol{5-[(3,5-Dichlorophenyl)sulfanyl]-4-(propan-2-yl)-1-[(quinolin-3-yl)methyl]-1H-imidazol-2-yl}methanol2-hydroxymethyl-5-(3,5-dichlorophenylthio)-4-isopropyl-1-(quinolin-3-ylmethyl)-1H-imidazole
Database identifiers
- CAS
178980-74-0- PubChem CID
- 474044
- DTXSID
DTXSID40170751
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 547
Related reactions
4 records
Compound notes
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