Basic information
- CAS
59077-64-4- Standard SMILES
COc1ccc(Cc2nc3ccccc3[nH]2)cc1OC- InChIKey
SRWWUKJFRDQIDV-UHFFFAOYSA-N- Molecular formula
- C16H16N2O2
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.12117776
Names & identifiers
- Preferred name
- 2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole
- IUPAC
- 2-[(3,4-dimethoxyphenyl)methyl]-1H-benzimidazole
- English name
- 2-(3,4-dimethoxybenzyl)-1H-benzimidazole
- Molecular formula
- C16H16N2O2
- Molecular weight
- 268.31
Names & synonyms
59077-64-42-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole2-((3,4-dimethoxyphenyl)methyl)-1H-1,3-benzodiazoleRefChem:447954985-584-32-(3,4-Dimethoxybenzyl)-1H-benzimidazole2-[(3,4-dimethoxyphenyl)methyl]-1H-benzimidazoleNSC6970742-(3,4-dimethoxybenzyl)-1H-benzo[d]imidazole4-(benzimidazol-2-ylmethyl)-1,2-dimethoxybenzeneEnamine_0005582-(3,4-Dimethoxy-benzyl)-1H-benzoimidazole
Show more names
1H-Benzimidazole, 2-[(3,4-dimethoxyphenyl)methyl]-
Cambridge id 5646958Oprea1_353133Oprea1_403891MLS000708066F1791-0017CHEMBL1332026SCHEMBL18535239HMS1395J08
Database identifiers
- CAS
59077-64-4- PubChem CID
- 393989
- ChEMBL
CHEMBL1332026- EC Number
- 165-509-3、985-584-3
- Nikkaji
- J3.116.251C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 313
Experimental & physicochemical properties
Solubility>40.2 [ug/mL] (The mean of the results at pH 7.4)
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, 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
Suppliers1 total
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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