Basic information
- CAS
301678-28-4- Standard SMILES
COc1ccc(/C=C/C(=O)NCCc2nc3ccccc3[nH]2)cc1- InChIKey
IRDJQCDTBJJJRY-DHZHZOJOSA-N- Molecular formula
- C19H19N3O2
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.14772686
Names & identifiers
- Preferred name
- (E)-N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-3-(4-methoxy-phenyl)-acrylamide
- IUPAC
- (E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
Names & synonyms
301678-28-4(E)-N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-3-(4-methoxy-phenyl)-acrylamide(2E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamideAE-641/11953049MLS000762736CHEMBL1389681DTXSID601325554HMS2809L23STL038098(E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamideAKOS001610017SMR000439736
Show more names
ST032674SR-01000416142SR-01000416142-1N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)acrylamide(2E)-N-(2-benzimidazol-2-ylethyl)-3-(4-methoxyphenyl)prop-2-enamide(E)-N-(2-(1H-benzo[d]imidazol-2-yl)ethyl)-3-(4-methoxyphenyl)acrylamide
Database identifiers
- CAS
301678-28-4- PubChem CID
- 674471
- DTXSID
DTXSID601325554- ChEMBL
CHEMBL1389681
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 432
Experimental & physicochemical properties
Solubility9.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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