N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-3-phenyl-acrylamide
Basic information
- CAS
300829-03-2- Standard SMILES
O=C(/C=C/c1ccccc1)NCCc1nc2ccccc2[nH]1- InChIKey
DPWOQDMHZNVSPQ-ZHACJKMWSA-N- Molecular formula
- C18H17N3O
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.13716217
Names & identifiers
- Preferred name
- N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-3-phenyl-acrylamide
- IUPAC
- (E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
Names & synonyms
300829-03-2N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-3-phenyl-acrylamide(2E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylprop-2-enamideMLS000780115CHEMBL1575341DTXSID101328284HMS1515G17HMS2805O15(E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylprop-2-enamideSTL300408AKOS000535886SMR000420298
Show more names
ST50754383AG-690/11962266N-(2-(1H-benzo[d]imidazol-2-yl)ethyl)cinnamamide(2E)-N-(2-benzimidazol-2-ylethyl)-3-phenylprop-2-enamide(E)-N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-3-phenyl-acrylamide
Database identifiers
- CAS
300829-03-2- PubChem CID
- 732149
- DTXSID
DTXSID101328284- ChEMBL
CHEMBL1575341
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 390
Experimental & physicochemical properties
Solubility23.7 [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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