Basic information
- CAS
20224-09-3- Standard SMILES
COc1ccc(C=CC(=O)c2nc3ccccc3[nH]2)cc1- InChIKey
QSCCDAGMEXKGHL-UHFFFAOYSA-N- Molecular formula
- C17H14N2O2
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.10552769
Names & identifiers
- Preferred name
- 1-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
- IUPAC
- 1-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
Names & synonyms
1-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-oneDTXSID201295050NCI60_0340461-(1H-Benzoimidazol-2-yl)-3-(4-methoxy-phenyl)-propenone
Database identifiers
- CAS
20224-09-3- PubChem CID
- 209702
- DTXSID
DTXSID201295050
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 388
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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