3-(5-{[2-(3-aminophenyl)-1H-benzimidazol-6-yl]oxy}-1H-benzimidazol-2-yl)aniline

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Basic information

CAS: 49860-99-3
Standard SMILES: Nc1cccc(-c2nc3ccc(Oc4ccc5nc(-c6cccc(N)c6)[nH]c5c4)cc3[nH]2)c1
InChIKey: ZSCKIOPWUGLXOL-UHFFFAOYSA-N
Molecular formula: C26H20N6O
Average molar mass: 432.5 g/mol
Monoisotopic mass: 432.16985928

Names & identifiers

Preferred name: 3-(5-{[2-(3-aminophenyl)-1H-benzimidazol-6-yl]oxy}-1H-benzimidazol-2-yl)aniline
IUPAC: 3-[6-[[2-(3-aminophenyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]aniline

Names & synonyms

STK0629943-(5-{[2-(3-aminophenyl)-1H-benzimidazol-6-yl]oxy}-1H-benzimidazol-2-yl)aniline49860-99-3DTXSID50386624AKOS001649219AKOS004120293SR-01000470169SR-01000470169-13,3'-[Oxybis(1H-1,3-benzimidazole-6,2-diyl)]dianiline

Database identifiers

CAS: 49860-99-3
PubChem CID: 2867433
DTXSID: DTXSID50386624

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 119 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 33
Formal charge: 0
Complexity: 611

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Compound notes

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