Basic information
- CAS
36841-33-5- Standard SMILES
CCc1nc2ccccc2n1CNc1ccc(C(=O)NN)cc1- InChIKey
FRYBTEYBUNNBCS-UHFFFAOYSA-N- Molecular formula
- C17H19N5O
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.15896025
Names & identifiers
- Preferred name
- Benzoic acid, p-((2-ethylbenzimidazol-1-ylmethyl)amino)-, hydrazide
- IUPAC
- 4-[(2-ethylbenzimidazol-1-yl)methylamino]benzohydrazide
- English name
- p-[(2-Ethyl-1H-benzimidazol-1-ylmethyl)amino]benzohydrazide
- Molecular formula
- C17H19N5O
- Molecular weight
- 309.37
Names & synonyms
BRN 093307036841-33-5BENZOIC ACID, p-((2-ETHYLBENZIMIDAZOL-1-YLMETHYL)AMINO)-, HYDRAZIDEDTXSID10190305p-((2-Ethylbenzimidazol-1-ylmethyl)amino)benzoic acid hydrazideRefChem:327792DTXCID801127964-{[(2-Ethyl-1H-1,3-benzimidazol-1-yl)methyl]amino}benzohydrazidep-[(2-Ethyl-1H-benzimidazol-1-ylmethyl)amino]benzohydrazideBenzoic acid, 4-[[(2-ethyl-1H-benzimidazol-1-yl)methyl]amino]-, hydrazide
Database identifiers
- CAS
36841-33-5- PubChem CID
- 37547
- DTXSID
DTXSID10190305- Nikkaji
- J87.208C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 12.9 · 12.90±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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