3-(1H-Benzimidazol-1-YL)-N'-(4-(benzyloxy)benzylidene)propanohydrazide
Basic information
- CAS
518018-56-9- Standard SMILES
O=C(CCn1cnc2ccccc21)N/N=C\c1ccc(OCc2ccccc2)cc1- InChIKey
NGQDVXCWMSSYFZ-QQXSKIMKSA-N- Molecular formula
- C24H22N4O2
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.17427596
Names & identifiers
- Preferred name
- 3-(1H-Benzimidazol-1-YL)-N'-(4-(benzyloxy)benzylidene)propanohydrazide
- IUPAC
- 3-(benzimidazol-1-yl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
- English name
- 3-(1H-benzimidazol-1-yl)-N'-{(Z)-[4-(benzyloxy)phenyl]methylidene}propanehydrazide
- Molecular formula
- C24H22N4O2
- Molecular weight
- 398.46
Names & synonyms
3-(1H-BENZIMIDAZOL-1-YL)-N'-(4-(BENZYLOXY)BENZYLIDENE)PROPANOHYDRAZIDE518018-56-9STK107508AKOS002308769ST507673023-(1H-benzimidazol-1-yl)-N'-{(Z)-[4-(benzyloxy)phenyl]methylidene}propanehydrazideN-{(1Z)-2-[4-(phenylmethoxy)phenyl]-1-azavinyl}-3-benzimidazolylpropanamide1H-Benzimidazole-1-propanoic acid, 2-[[4-(phenylmethoxy)phenyl]methylene]hydrazide
Database identifiers
- CAS
518018-56-9- PubChem CID
- 5872265
- EC Number
- 120-442-9
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 555
Physicochemical properties
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 13.19 · 13.19±0.46(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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