Basic information
- CAS
5564-81-8- Standard SMILES
Nc1nonc1-c1nc2ccccc2n1Cc1ccc(Cl)cc1- InChIKey
LAQLCMYZQGUKFA-UHFFFAOYSA-N- Molecular formula
- C16H12ClN5O
- Average molar mass
- 325.75 g/mol
- Monoisotopic mass
- 325.0730377
Names & identifiers
- Preferred name
- 4-[1-(4-Chloro-benzyl)-1H-benzoimidazol-2-yl]-furazan-3-ylamine
- IUPAC
- 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
Names & synonyms
5564-81-84-[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amineMLS0001067494-[1-(4-Chloro-benzyl)-1H-benzoimidazol-2-yl]-furazan-3-ylamineCBMicro_025838SCHEMBL1904814CHEMBL1331623REGID_for_CID_683053DTXSID90350566HMS2459A08HMS5224A05CCG-11861
Show more names
NSC764858STK3320724-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amineAKOS001597168NSC-764858SMR000111125ST007255BIM-0025901.P001
Database identifiers
- CAS
5564-81-8- PubChem CID
- 683053
- DTXSID
DTXSID90350566- ChEMBL
CHEMBL1331623
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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