Basic information
- CAS
54627-94-0- Standard SMILES
O=c1ccc(-c2nc3ccccc3[nH]2)c[nH]1- InChIKey
SVRLGIZVNZPDAS-UHFFFAOYSA-N- Molecular formula
- C12H9N3O
- Average molar mass
- 211.22 g/mol
- Monoisotopic mass
- 211.07456192
Overview
has antineoplastic activity; structure in first source
Names & identifiers
- Preferred name
- 5-(1H-benzoimidazol-2-yl)-1H-pyridin-2-one
- IUPAC
- 5-(1H-benzimidazol-2-yl)-1H-pyridin-2-one
- English name
- 5-(1H-Benzoimidazol-2-yl)-pyridin-2-ol
- Molecular formula
- C12H9N3O
- Molecular weight
- 211.22
Names & synonyms
5-(1H-Benzoimidazol-2-yl)-1H-pyridin-2-oneCR389 compoundRefChem:9130845-(1H-benzimidazol-2-yl)pyridin-2-ol54627-94-05-(2-Benzimidazolyl)pyridin-2-olMFCD073663255-(1H-1,3-benzodiazol-2-yl)pyridin-2-ol5-(1H-benzimidazol-2-yl)-1H-pyridin-2-one5-(1H-BENZOIMIDAZOL-2-YL)-PYRIDIN-2-OL5-(1H-benzo[d]imidazol-2-yl)pyridin-2-ol5-(1H-1,3-benzodiazol-2-yl)-1,2-dihydropyridin-2-one
Show more names
2(1H)-Pyridinone, 5-(1H-benzimidazol-2-yl)-
5-(1H-1,3-benzimidazol-2-yl)-2(1H)-pyridinoneSCHEMBL10695095DTXSID80420742ECA62794XH01765-benzimidazol-2-ylhydropyridin-2-oneAKOS00067861412J-320S
Database identifiers
- CAS
54627-94-0- PubChem CID
- 2768942
- DTXSID
DTXSID80420742- EC Number
- 157-012-5
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers9 total
韶远科技（上海）有限公司4000665055 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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