1h-Imidazol-4-yl(4-methoxyphenyl)methanone
Basic information
- CAS
5535-81-9- Standard SMILES
COc1ccc(C(=O)c2cnc[nH]2)cc1- InChIKey
RQEVOUAOUXHESN-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.07422757
Names & identifiers
- Preferred name
- 1h-Imidazol-4-yl(4-methoxyphenyl)methanone
- IUPAC
- 1H-imidazol-5-yl-(4-methoxyphenyl)methanone
Names & synonyms
(1H-Imidazol-5-yl)(4-methoxyphenyl)methanone1h-imidazol-4-yl(4-methoxyphenyl)methanone5535-81-984396-14-5CDS1_004157CBMicro_023741MixCom6_000765Oprea1_465828Oprea1_551422Oprea1_787452MLS001012184DivK1c_005197
Show more names
CHEMBL1484353SCHEMBL11053630DTXSID00970693HMS2809J22CCG-10368AKOS000673578AKOS022118802SMR000425189
Database identifiers
- CAS
5535-81-9- PubChem CID
- 760231
- DTXSID
DTXSID00970693- ChEMBL
CHEMBL1484353
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
Solubility>30.3 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
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Compound notes
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