Basic information
- CAS
36998-79-5- Standard SMILES
CN(C)c1ccc(C=CC(=O)c2nc3ccccc3[nH]2)cc1- InChIKey
CZFRSDJMVHGIIZ-UHFFFAOYSA-N- Molecular formula
- C18H17N3O
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.13716217
Names & identifiers
- Preferred name
- 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(4-(dimethylamino)phenyl)-
- IUPAC
- 1-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
Names & synonyms
36998-79-52-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(4-(dimethylamino)phenyl)-RefChem:10643381-(1H-Benzimidazol-2-yl)-3-(4-(dimethylamino)phenyl)-2-propen-1-oneCHEMBL4587513NSC 277493DS-004386
Database identifiers
- CAS
36998-79-5- PubChem CID
- 100261
- ChEMBL
CHEMBL4587513
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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