Basic information
- CAS
13361-55-2- Standard SMILES
COc1ccc(C(=O)n2cnc3ccccc32)cc1- InChIKey
KRIWMLYYGXHCKE-UHFFFAOYSA-N- Molecular formula
- C15H12N2O2
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.08987763
Names & identifiers
- Preferred name
- Benzoimidazol-1-YL-(4-methoxy-phenyl)-methanone
- IUPAC
- benzimidazol-1-yl-(4-methoxyphenyl)methanone
- English name
- 1-(4-methoxybenzoyl)-1H-benzimidazole
- Molecular formula
- C15H12N2O2
- Molecular weight
- 252.27
Names & synonyms
Benzoimidazol-1-yl-(4-methoxy-phenyl)-methanoneRefChem:566169651-813-813361-55-2benzimidazol-1-yl-(4-methoxyphenyl)methanone(1H-Benzo[d]imidazol-1-yl)(4-methoxyphenyl)methanoneOprea1_153646Oprea1_818217MLS001204806CHEMBL1509084DTXSID90351816HMS2837K15
Show more names
1-(4-methoxybenzoyl)-1H-benzimidazoleMethanone, 1H-benzimidazol-1-yl(4-methoxyphenyl)-
benzimidazolyl 4-methoxyphenyl ketoneSTK031891AKOS000492539SMR000514842ST0106651H-benzimidazol-1-yl(4-methoxyphenyl)methanone(1H-benzimidazol-1-yl)(4-methoxyphenyl)methanoneAG-690/03002008
Database identifiers
- CAS
13361-55-2- PubChem CID
- 710646
- DTXSID
DTXSID90351816- ChEMBL
CHEMBL1509084- EC Number
- 651-813-8
- Nikkaji
- J1.059.645I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Experimental & physicochemical properties
Solubility>37.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications 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
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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