3-(6-amino-1H-benzimidazol-2-yl)phenol
Basic information
- CAS
436100-00-4- Standard SMILES
Nc1ccc2nc(-c3cccc(O)c3)[nH]c2c1- InChIKey
ULADCLDYBHCFNQ-UHFFFAOYSA-N- Molecular formula
- C13H11N3O
- Average molar mass
- 225.25 g/mol
- Monoisotopic mass
- 225.09021198
Names & identifiers
- Preferred name
- 3-(6-amino-1H-benzimidazol-2-yl)phenol
- IUPAC
- 3-(6-amino-1H-benzimidazol-2-yl)phenol
- English name
- 3-(5-Amino-1 H-benzoimidazol-2-yl)-phenol
- Molecular formula
- C13H11N3O
- Molecular weight
- 225.25
Names & synonyms
436100-00-43-(6-amino-1H-benzimidazol-2-yl)phenol3-(5-Amino-1H-benzoimidazol-2-yl)-phenol3-(5-Amino-1H-benzo[d]imidazol-2-yl)phenolBAS 00255316SR-010003186623-(5-amino-1 h-benzoimidazol-2-yl)-phenol3-(5-Amino-1H-benzoimidazol-2-yl)phenolhydrobromideOprea1_109252Oprea1_877030DTXSID303568253-(5-aminobenzimidazol-2-yl)phenol
Show more names
AKOS0003014523-(5-amino-1h-benzoimidazol-2-yl)phenolST500008203-(6-Amino-1H-1,3-benzimidazol-2-yl)phenolSR-01000318662-2
Database identifiers
- CAS
436100-00-4- PubChem CID
- 834604
- DTXSID
DTXSID30356825
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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