AWN

2-(1~{H}-benzimidazol-2-yl)-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine

Created:	2017-08-25
Last modified:	2018-02-28

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1 entries where AWN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	22

2D diagram of AWN

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Chemical Component Summary
Name	2-(1~{H}-benzimidazol-2-yl)-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine
Systematic Name (OpenEye OEToolkits)	2-(1~{H}-benzimidazol-2-yl)-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine
Formula	C₂₂ H₂₀ Cl N₃
Molecular Weight	361.867
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1cc(CNCCc2[nH]c3ccccc3n2)ccc1c4ccccc4
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]c4ccccc4n3
Canonical SMILES	CACTVS	3.385	Clc1cc(CNCCc2[nH]c3ccccc3n2)ccc1c4ccccc4
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]c4ccccc4n3
InChI	InChI	1.03	InChI=1S/C22H20ClN3/c23-19-14-16(10-11-18(19)17-6-2-1-3-7-17)15-24-13-12-22-25-20-8-4-5-9-21(20)26-22/h1-11,14,24H,12-13,15H2,(H,25,26)
InChIKey	InChI	1.03	FRBAXZWVJBIJNN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	132281903

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