Basic information
- CAS
123771-22-2- Standard SMILES
c1cc(CSc2nc3ccccc3[nH]2)nc(CSc2nc3ccccc3[nH]2)c1- InChIKey
TYMDRIURLRAWCF-UHFFFAOYSA-N- Molecular formula
- C21H17N5S2
- Average molar mass
- 403.5 g/mol
- Monoisotopic mass
- 403.09253791
Names & identifiers
- Preferred name
- 2-[({6-[(1H-Benzimidazol-2-ylsulfanyl)methyl]-2-pyridinyl}methyl)sulfanyl]-1H-benzimidazole
- IUPAC
- 2-[[6-(1H-benzimidazol-2-ylsulfanylmethyl)-2-pyridinyl]methylsulfanyl]-1H-benzimidazole
Names & synonyms
CHEMBL10848212-[({6-[(1H-BENZIMIDAZOL-2-YLSULFANYL)METHYL]-2-PYRIDINYL}METHYL)SULFANYL]-1H-BENZIMIDAZOLECBMicro_018634Oprea1_084434SCHEMBL14304931SCHEMBL38671989CCG-6902BDBM50319697STL356700AKOS022096004123771-22-2BIM-0018800.P001
Show more names
ST50818385AG-205/32458037SR-01000645493-12,6-bis((1H-benzo[d]imidazol-2-ylthio)methyl)pyridine2,6-bis(((1H-benzo[d]imidazol-2-yl)thio)methyl)pyridine2,2'-[pyridine-2,6-diylbis(methanediylsulfanediyl)]bis(1H-benzimidazole)2-[({6-[(1H-benzo[d]imidazol-2-ylthio)methyl]-2-pyridyl}methyl)thio]-1H-benzo[d]imidazole2-[[6-(1H-benzimidazol-2-ylsulfanylmethyl)-2-pyridinyl]methylsulfanyl]-1H-benzimidazole
Database identifiers
- CAS
123771-22-2- PubChem CID
- 985472
- ChEMBL
CHEMBL1084821- EC Number
- 167-633-3
- Nikkaji
- J1.536.937J
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 467
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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