AT8

2-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine

Created:	2017-08-22
Last modified:	2018-09-05

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1 entries where AT8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	55
Aromatic Bond Count	22

2D diagram of AT8

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Chemical Component Summary
Name	2-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine
Systematic Name (OpenEye OEToolkits)	2-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine
Formula	C₂₄ H₂₂ Cl₃ N₃
Molecular Weight	458.811
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCc1ccccc1c2ccc(CNCCc3[nH]c4cc(Cl)c(Cl)cc4n3)cc2Cl
SMILES	OpenEye OEToolkits	2.0.6	CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4cc(c(cc4n3)Cl)Cl
Canonical SMILES	CACTVS	3.385	CCc1ccccc1c2ccc(CNCCc3[nH]c4cc(Cl)c(Cl)cc4n3)cc2Cl
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4cc(c(cc4n3)Cl)Cl
InChI	InChI	1.03	InChI=1S/C24H22Cl3N3/c1-2-16-5-3-4-6-17(16)18-8-7-15(11-19(18)25)14-28-10-9-24-29-22-12-20(26)21(27)13-23(22)30-24/h3-8,11-13,28H,2,9-10,14H2,1H3,(H,29,30)
InChIKey	InChI	1.03	NBOVOCNPTOULPE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	134812596

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