Bentemazole
Basic information
- CAS
63927-95-7- Standard SMILES
c1ccc(Cn2ccnc2-c2nn[nH]n2)cc1- InChIKey
YIMUZODUAWKOQL-UHFFFAOYSA-N- Molecular formula
- C11H10N6
- Average molar mass
- 226.24 g/mol
- Monoisotopic mass
- 226.09669434
Overview
Bentemazole is a small molecule drug. Bentemazole has a monoisotopic molecular weight of 226.1 Da.
Names & identifiers
- Preferred name
- Bentemazole
- IUPAC
- 5-(1-benzylimidazol-2-yl)-2H-tetrazole
- English name
- Bentemazole
- Molecular formula
- C11H10N6
- Molecular weight
- 226.24
Names & synonyms
Bentemazole63927-95-7BentemazolBentemazole [INN]BentemazolumBentemazol [INN-Spanish]Bentemazolum [INN-Latin]1-Benzyl-2-(5-tetrazolyl)-imidazoleUNII-P4QI4D1IUVP4QI4D1IUV5-(1-Benzylimidazol-2-yl)-1H-tetrazole5-(1-(Phenylmethyl)-1H-imidazol-2-yl)-1H-tetrazole
Show more names
5-(1-Benzyl-1H-imidazol-2-yl)-1H-tetrazole2H-Tetrazole, 5-[1-(phenylmethyl)-1H-imidazol-2-yl]-
DTXSID502137241H-Tetrazole, 5-(1-(phenylmethyl)-1H-imidazol-2-yl)-Bentemazol (INN-Spanish)Bentemazolum (INN-Latin)RefChem:117034DTXCID801362155-(1-benzylimidazol-2-yl)-2H-tetrazole5-(1-benzyl-1H-imidazol-2-yl)-1H-1,2,3,4-tetrazole
Database identifiers
- CAS
63927-95-7- PubChem CID
- 68826
- DTXSID
DTXSID50213724- ChEMBL
CHEMBL2105919- UNII
- P4QI4D1IUV
- Nikkaji
- J19.270H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- FDA UNII
- 4 QI4D1IUV · P4QI4D1IUV
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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