Benzoic acid, 4,4'-((5-chloro-2-thioxo-1H-benzimidazole-1,3(2H)-diyl)bis(methyleneimino)bis-
Basic information
- CAS
91067-24-2- Standard SMILES
O=C(O)c1ccc(NCn2c(=S)n(CNc3ccc(C(=O)O)cc3)c3cc(Cl)ccc32)cc1- InChIKey
YOXUTDVGGRHXIK-UHFFFAOYSA-N- Molecular formula
- C23H19ClN4O4S
- Average molar mass
- 482.9 g/mol
- Monoisotopic mass
- 482.081554
Names & identifiers
- Preferred name
- Benzoic acid, 4,4'-((5-chloro-2-thioxo-1H-benzimidazole-1,3(2H)-diyl)bis(methyleneimino)bis-
- IUPAC
- 4-[[3-[(4-carboxyanilino)methyl]-5-chloro-2-sulfanylidenebenzimidazol-1-yl]methylamino]benzoic acid
Names & synonyms
Benzoic acid, 4,4'-((5-chloro-2-thioxo-1H-benzimidazole-1,3(2H)-diyl)bis(methyleneimino)bis-91067-24-2DTXSID702383984,4'-((5-Chloro-2-thioxo-1H-benzimidazole-1,3(2H)-diyl)bis(methyleneimino)bisbenzoic acid)RefChem:327248DTXCID901608894,4'-[(5-Chloro-2-sulfanylidene-1H-1,3-benzimidazole-1,3(2H)-diyl)bis(methyleneazanediyl)]dibenzoic acid
Database identifiers
- CAS
91067-24-2- PubChem CID
- 56168
- DTXSID
DTXSID70238398
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 727
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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