Basic information
- CAS
2620-81-7- Standard SMILES
COc1ccc(-c2nc3ccccc3[nH]2)cc1- InChIKey
PYRWEZBEXFMUHH-UHFFFAOYSA-N- Molecular formula
- C14H12N2O
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.09496301
Names & identifiers
- Preferred name
- 2-(4-methoxyphenyl)-1H-1,3-benzodiazole
- IUPAC
- 2-(4-methoxyphenyl)-1H-benzimidazole
- English name
- 2-(4-Methoxyphenyl)-1H-benzimidazole
- Molecular formula
- C14H12N2O
- Molecular weight
- 224.26
Names & synonyms
2-(4-methoxyphenyl)-1H-1,3-benzodiazoleRefChem:457921868-289-32620-81-72-(4-methoxyphenyl)-1H-benzimidazole2-(4-methoxyphenyl)-1H-benzo[d]imidazole2-(4-methoxyphenyl)-1H-benzoimidazole2-(4-Methoxy-phenyl)-1H-benzoimidazole1H-Benzimidazole, 2-(4-methoxyphenyl)-MLS000532684MFCD00195122SMR000140122
Show more names
OTAVA-BB 1056467TIMTEC-BB SBB0006382-(4-Methoxyphenyl)benzimidazole2-(4-Methoxyphenyl)benziMidazole, 95%1H-BenziMidazole, 2-(4-Methoxyphenyl)-BenziMidazole, 2-(p-Methoxyphenyl)- (6CI,7CI,8CI)
F0852-01741-benzimidazol-2-yl-4-methoxybenzeneNSC403421ChemDivAM_000661ChemDiv1_019885Cambridge id 5129074Oprea1_678734CBDivE_012402
Database identifiers
- CAS
2620-81-7- PubChem CID
- 345686
- DTXSID
DTXSID40323245- ChEMBL
CHEMBL379179
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Melting point
- 228 · 228-230 °C
- Boiling point
- 428.2 · 428.2±47.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- pka
- 11.49 · 11.49±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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, 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
- H335-H315-H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses2-(4-Methoxyphenyl)-1H-benzimidazole can be used as PPARGC1A activators for treating neurodegenerative diseases.
Suppliers18 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
上海合寰化工科技有限公司18621911604 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
郑州艾克姆化工有限公司0371-63315541 13323832564 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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