2-[4-(1H-benzimidazol-2-yl)phenoxy]ethyl methanesulfonate

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Basic information

CAS: 84396-06-5
Standard SMILES: CS(=O)(=O)OCCOc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIKey: JVPKJNHXRJNSAN-UHFFFAOYSA-N
Molecular formula: C16H16N2O4S
Average molar mass: 332.4 g/mol
Monoisotopic mass: 332.08307817

Names & identifiers

Preferred name: 2-[4-(1H-benzimidazol-2-yl)phenoxy]ethyl methanesulfonate
IUPAC: 2-[4-(1H-benzimidazol-2-yl)phenoxy]ethyl methanesulfonate

Names & synonyms

84396-06-52-[4-(1H-benzimidazol-2-yl)phenoxy]ethyl methanesulfonateNSC303242DTXSID90316405NSC-303242DS-0128262-[4-(2-Methylsulfonyloxyethoxy)phenyl]-1h-benzoimidazole2-[4-(1H-1,3-Benzimidazol-2-yl)phenoxy]ethyl methanesulfonate

Database identifiers

CAS: 84396-06-5
PubChem CID: 327562
DTXSID: DTXSID90316405

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 89.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 23
Formal charge: 0
Complexity: 471

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Compound notes

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