1-[2-(4-Methoxy-phenoxy)-ethyl]-1H-benzoimidazol-2-ylamine
Basic information
- CAS
325822-94-4- Standard SMILES
COc1ccc(OCCn2c(N)nc3ccccc32)cc1- InChIKey
SWTGVGMUAVYHSO-UHFFFAOYSA-N- Molecular formula
- C16H17N3O2
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.13207679
Names & identifiers
- Preferred name
- 1-[2-(4-Methoxy-phenoxy)-ethyl]-1H-benzoimidazol-2-ylamine
- IUPAC
- 1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-amine
- English name
- 1-[2-(4-Methoxy-phenoxy)-ethyl]-1H-benzoimidazol-2-ylamine
- Molecular formula
- C16H17N3O2
- Molecular weight
- 283.33
Names & synonyms
325822-94-41-[2-(4-Methoxy-phenoxy)-ethyl]-1H-benzoimidazol-2-ylamine1-(2-(4-Methoxyphenoxy)ethyl)-1H-benzo[d]imidazol-2-amine1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-amine1-[2-(4-methoxyphenoxy)ethyl]-1H-benzimidazol-2-amine1-[2-(4-methoxyphenoxy)ethyl]-1h-benzoimidazol-2-ylamineEnamine_000422Oprea1_274980Oprea1_497031MLS001211919CHEMBL14610931H-Benzimidazol-2-amine,1-[2-(4-methoxyphenoxy)ethyl]-
Show more names
TOSLAB 978671H-Benzimidazol-2-amine, 1-[2-(4-methoxyphenoxy)ethyl]-
DTXSID50354747HMS1395D04HMS2848F23STK213638AKOS000562917SMR000515805CS-0333011ST50006174
Database identifiers
- CAS
325822-94-4- PubChem CID
- 780983
- DTXSID
DTXSID50354747- ChEMBL
CHEMBL1461093
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 321
Experimental & physicochemical properties
Solubility>42.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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