Basic information
- CAS
5418-95-1- Standard SMILES
NC(N)=Nc1nc2ccccc2[nH]1- InChIKey
JJWCTKUQWXYIIU-UHFFFAOYSA-N- Molecular formula
- C8H9N5
- Average molar mass
- 175.19 g/mol
- Monoisotopic mass
- 175.08579531
Overview
2-Benzimidazolylguanidine is an aminoimidazole.
Names & identifiers
- Preferred name
- 2-Guanidinobenzimidazole
- IUPAC
- 2-(1H-benzimidazol-2-yl)guanidine
- English name
- 2-Guanidinobenzimidazole
- Molecular formula
- C8H9N5
- Molecular weight
- 175.19
Names & synonyms
2-Guanidinobenzimidazole5418-95-12-Benzimidazolylguanidine2-(1H-benzimidazol-2-yl)guanidineGuanidine, 1H-benzimidazol-2-yl-1-(Benzimidazol-2-yl)guanidineGuanidine, N-1H-benzimidazol-2-yl-FQ07TOI8GZNSC-10548DTXSID60638582-guanidinebenzimidazole2-guanidino-benzimidazole
Show more names
AKOS BC-1905TIMTEC-BB SBB003790TOSLAB-BB TOS-BB-1283OTAVA-BB BB01110702502-Guanidinobenzimiazole2-Guanidinobezimidazole2-GUANIDINOBENZIMIDAZOLE 95%2-Guanidinobenzimidazole,95%
RefChem:465534benzimidazolyl-2-guanidineDTXCID2041624226-527-81-(1H-benzo[d]imidazol-2-yl)guanidineN-1H-benzimidazol-2-ylguanidineN-(1H-1,3-benzodiazol-2-yl)guanidine1-(1H-benzimidazol-2-yl)guanidine
Database identifiers
- CAS
5418-95-1- PubChem CID
- 36149
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 242 · 242-244 °C (dec.) (lit.)
- Boiling point
- 296.48 °C · 296.48°C (rough estimate)
- Density
- 1.2954 · 1.2954 (rough estimate)
- refractive index
- 1.69 · 1.6900 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Soluble in DMSO (up to 50 mg/ml) or in Water (up to 4 mg/ml with warming)
- pka
- 13.67 · 13.67±0.30(Predicted)
- form
- solid
- color
- Beige
- Stability
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO or distilled water may be stored at -20°C for up to 3 months.
- InChI
- 1S/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,12,13)
- InChIKey
- JJWCTKUQWXYIIU-UHFFFAOYSA-N
- SMILES
- NC(=N)Nc1nc2ccccc2[nH]1
- CAS DataBase Reference
- 5418 · 5418-95-1(CAS DataBase Reference)
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%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationGuanidine, N-1H-benzimidazol-2-yl-: ACTIVE
Applications
Description2GBI (5418-95-1) is a selective and state-dependent blocker of voltage-gated proton channels (Hv1).12GBI blocks the channel by binding to the voltage-sensing domain from its intracellular side.2,3 Inhibition of Hv1 is a potentially new target of intervention in various pathophysiological processes including inflammatory, cancer, bone resorption and neurodegenerative disease.4
UsesN-1H-Benzimidazol-2-ylguanidine is used as a reagent in the synthesis of novel fused pyrimidines and imidazoles as potential analgesics.
Upstream & downstream products
Downstream products
Suppliers36 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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