Basic information
- CAS
5805-52-7- Standard SMILES
NC(=O)c1nc2ccccc2[nH]1- InChIKey
XIZCDQOKKYYCRH-UHFFFAOYSA-N- Molecular formula
- C8H7N3O
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.05891186
Names & identifiers
- Preferred name
- 1H-1,3-benzodiazole-2-carboxamide
- IUPAC
- 1H-benzimidazole-2-carboxamide
- English name
- 1H-Benzimidazole-2-carboxamide(9CI)
- Molecular formula
- C8H7N3O
- Molecular weight
- 161.16
Names & synonyms
1H-1,3-benzodiazole-2-carboxamideRefChem:437955895-763-71H-Benzo[d]imidazole-2-carboxamide5805-52-71H-benzimidazole-2-carboxamideMFCD057239752-Benzimidazolecarboxamide1H-Benzimidazole-2-carboxamide(9CI)benzimidazole carboxamideSCHEMBL828618SCHEMBL1757287
Show more names
SCHEMBL3045289SCHEMBL4468892SCHEMBL29688264DTXSID00332196XIZCDQOKKYYCRH-UHFFFAOYSA-NALBB-0357301H-1,3-Benzimidazole-2-carboxamideMSK164595
Database identifiers
- CAS
5805-52-7- PubChem CID
- 445686
- DTXSID
DTXSID00332196- EC Number
- 895-763-7
- Nikkaji
- J783.265F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- Boiling point
- 417.6 · 417.6±28.0 °C(Predicted)
- Density
- 1.416 · 1.416±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 10.59 · 10.59±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Applications
Uses1H-benzimidazole-2-carboxamide is a pharmaceutical intermediate that can be used to prepare the Pin1 inhibitor 1,2-disubstituted benzimidazole derivative 2-[1-[3-oxo-(3-anilino)propyl]-1H-benzimidazole-2-yl]thiazolyl-4-carboxylic acid.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers38 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
Related reactions
1 records
Compound notes
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