N'-(4-(Diethylamino)benzylidene)-1H-benzimidazole-6-carbohydrazide
Basic information
- CAS
500107-14-2- Standard SMILES
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc3nc[nH]c3c2)cc1- InChIKey
FQLNAYAQEKHXJE-WSDLNYQXSA-N- Molecular formula
- C19H21N5O
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.17461031
Names & identifiers
- Preferred name
- N'-(4-(Diethylamino)benzylidene)-1H-benzimidazole-6-carbohydrazide
- IUPAC
- N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
Names & synonyms
500107-14-2MLS000768002CHEMBL3195928DTXSID901323521STK636624AKOS005568531AKOS024320024N'-(4-(DIETHYLAMINO)BENZYLIDENE)-1H-BENZIMIDAZOLE-6-CARBOHYDRAZIDESMR000431322ST50421688(E)-N'-(4-(diethylamino)benzylidene)-1H-benzo[d]imidazole-6-carbohydrazide3H-Benzoimidazole-5-carboxylic acid [1-(4-diethylamino-phenyl)-meth-(E)-ylidene]-hydrazide
Show more names
N'-{(E)-[4-(diethylamino)phenyl]methylidene}-1H-benzimidazole-5-carbohydrazideN'-{(E)-[4-(Diethylamino)phenyl]methylidene}-1H-benzimidazole-6-carbohydrazideN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamideN-{(1E)-2-[4-(diethylamino)phenyl]-1-azavinyl}benzimidazol-6-ylcarboxamide
Database identifiers
- CAS
500107-14-2- PubChem CID
- 9660656
- DTXSID
DTXSID901323521- ChEMBL
CHEMBL3195928
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 457
Experimental & physicochemical properties
Solubility10.2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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