5-bromo-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]pyridine-3-carbohydrazide
Basic information
- CAS
852907-02-9- Standard SMILES
Cn1c(CC(=O)NNC(=O)c2cncc(Br)c2)nc2ccccc21- InChIKey
XBOMDAVCPYOVSS-UHFFFAOYSA-N- Molecular formula
- C16H14BrN5O2
- Average molar mass
- 388.22 g/mol
- Monoisotopic mass
- 387.03309
Names & identifiers
- Preferred name
- 5-bromo-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]pyridine-3-carbohydrazide
- IUPAC
- 5-bromo-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]pyridine-3-carbohydrazide
Names & synonyms
5-bromo-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]pyridine-3-carbohydrazideMLS002249114CHEMBL1902851DTXSID401320172HMS3057K07AKOS034198749852907-02-9SMR001316563Z334803965-Bromo-N'-[(1-methyl-1H-benzimidazol-2-yl)acetyl]pyridine-3-carbohydrazide
Database identifiers
- CAS
852907-02-9- PubChem CID
- 4787482
- DTXSID
DTXSID401320172- ChEMBL
CHEMBL1902851
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 477
Experimental & physicochemical properties
Solubility18 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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