(Z)-3-[2-(cyanomethoxy)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Basic information
- CAS
5539-77-5- Standard SMILES
Cc1ccc2nc(/C(C#N)=C\c3ccccc3OCC#N)[nH]c2c1- InChIKey
DUFPYPDGLBEJIB-PTNGSMBKSA-N- Molecular formula
- C19H14N4O
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.11676108
Names & identifiers
- Preferred name
- (Z)-3-[2-(cyanomethoxy)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
- IUPAC
- (Z)-3-[2-(cyanomethoxy)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Names & synonyms
5539-77-5(Z)-3-[2-(cyanomethoxy)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrileAC1NSI9V3-[2-(cyanomethoxy)phenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrileCambridge id 5539775DTXSID80416488AB00088070-01SR-01000212093SR-01000212093-1(2Z)-3-[2-(Cyanomethoxy)phenyl]-2-(6-methyl-1H-1,3-benzimidazol-2-yl)prop-2-enenitrile
Database identifiers
- CAS
5539-77-5- PubChem CID
- 5334552
- DTXSID
DTXSID80416488
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 85.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 568
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…