1-(2,5-Dimethoxy-benzenesulfonyl)-2-isopropyl-1H-imidazole
Basic information
- CAS
364338-21-6- Standard SMILES
COc1ccc(OC)c(S(=O)(=O)n2ccnc2C(C)C)c1- InChIKey
RNLCKHQLEBYETB-UHFFFAOYSA-N- Molecular formula
- C14H18N2O4S
- Average molar mass
- 310.37 g/mol
- Monoisotopic mass
- 310.09872823
Names & identifiers
- Preferred name
- 1-(2,5-Dimethoxy-benzenesulfonyl)-2-isopropyl-1H-imidazole
- IUPAC
- 1-(2,5-dimethoxyphenyl)sulfonyl-2-propan-2-ylimidazole
Names & synonyms
1-(2,5-Dimethoxy-benzenesulfonyl)-2-isopropyl-1H-imidazole364338-21-61-(2,5-dimethoxyphenyl)sulfonyl-2-propan-2-ylimidazoleCBMicro_027492CBKinase1_000433CBKinase1_012833Oprea1_262547Oprea1_830073MLS001202873CHEMBL1606739DTXSID101321064HMS2847B08
Show more names
STK012385AKOS000595231SMR000515011BIM-0027343.P001ST51068528AG-690/11665619Z12017128231-[(2,5-dimethoxyphenyl)sulfonyl]-2-(methylethyl)imidazole
Database identifiers
- CAS
364338-21-6- PubChem CID
- 794495
- DTXSID
DTXSID101321064- ChEMBL
CHEMBL1606739
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 435
Experimental & physicochemical properties
Solubility46.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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