1H-Imidazole-2-propanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-(4-pyridinylmethyl)-
Basic information
- CAS
178980-58-0- Standard SMILES
CC(C)c1nc(CCCO)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
VRNVUQQLMIVBJR-UHFFFAOYSA-N- Molecular formula
- C21H23Cl2N3OS
- Average molar mass
- 436.4 g/mol
- Monoisotopic mass
- 435.0938889
Names & identifiers
- Preferred name
- 1H-Imidazole-2-propanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-(4-pyridinylmethyl)-
- IUPAC
- 3-[5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]propan-1-ol
Names & synonyms
178980-58-01H-Imidazole-2-propanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-(4-pyridinylmethyl)-1H-Imidazole-2-propanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-(4-pyridinylmethyl)-SCHEMBL6966489DTXSID20170739VRNVUQQLMIVBJR-UHFFFAOYSA-NBAA798123-[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-(4-pyridylmethyl)imidazol-2-yl]propan-1-ol3-(5-(3,5-dichlorophenylthio)-4-isopropyl-1-(pyridin-4-ylmethyl)-1H-imidazol-2-yl)-propan-1-ol3-{5-[(3,5-Dichlorophenyl)sulfanyl]-4-(propan-2-yl)-1-[(pyridin-4-yl)methyl]-1H-imidazol-2-yl}propan-1-ol
Database identifiers
- CAS
178980-58-0- PubChem CID
- 474098
- DTXSID
DTXSID20170739
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 457
Related reactions
3 records
Compound notes
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