Basic information
- CAS
101183-99-7- Standard SMILES
CCc1[nH]c(=O)[nH]c1C(=O)c1ccc(-n2ccnc2)cc1- InChIKey
FIYSLYBKJKWZMC-UHFFFAOYSA-N- Molecular formula
- C15H14N4O2
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.1116757
Names & identifiers
- Preferred name
- CK 2289
- IUPAC
- 4-ethyl-5-(4-imidazol-1-ylbenzoyl)-1,3-dihydroimidazol-2-one
- English name
- CK 2289
- Molecular formula
- C15H14N4O2
- Molecular weight
- 282.3
Names & synonyms
101183-99-7CK 2289CK-2289DTXSID40143763RefChem:126643DTXCID40662544-ethyl-5-(4-imidazol-1-ylbenzoyl)-1,3-dihydroimidazol-2-oneCHEMBL173382H-Imidazol-2-one, 4-ethyl-1,3-dihydro-5-(4-(1H-imidazol-1-yl)benzoyl)-4-(4-(1H-Imidazol-1-yl)benzoyl)-5-ethyl-1,3-dihydro-2H-imidazol-2-one2H-Imidazol-2-one, 4-ethyl-1,3-dihydro-5-[4-(1H-imidazol-1-yl)benzoyl]-FIYSLYBKJKWZMC-UHFFFAOYSA-N
Show more names
4-Ethyl-5-[4-(1H-imidazol-1-yl)benzoyl]-1H-imidazol-2(3H)-one4-[4-(1H-Imidazol-1-yl)benzoyl]-5-ethyl-1H-imidazol-2(3H)-one
orb1697774SCHEMBL7266072SCHEMBL10665405BDBM502268694-Ethyl-1,3-dihydro-5-[4-(1H-imidazol-1-yl)benzoyl]-2H-imidazol-2-oneAKOS040751202T309554-Ethyl-5-[4-(1H-imidazol-1-yl)benzoyl]-1,3-dihydro-2H-imidazol-2-one
Database identifiers
- CAS
101183-99-7- PubChem CID
- 127769
- DTXSID
DTXSID40143763- ChEMBL
CHEMBL17338- Nikkaji
- J380.357K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 466
Physicochemical properties
- Melting point
- 313 · 313-315 °C (decomp)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 10.23 · 10.23±0.70(Predicted)
Chemistry & industry
Applications
DescriptionCK 2289 is an inhibitor of type III cyclic 3'5'-adenosine monophosphate phosphodiesterase with potential utility in the treatment of congestive heart failure.
Suppliers6 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
2 records
Compound notes
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