A1L6X

1-[(2S)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole

Created:	2024-12-10
Last modified:	2025-05-21

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1 entries where A1L6X is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	1
Bond Count	41
Aromatic Bond Count	17

2D diagram of A1L6X

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Chemical Component Summary
Name	1-[(2S)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole
Synonyms	miconazole
Systematic Name (OpenEye OEToolkits)	1-[(2~{S})-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole
Formula	C₁₈ H₁₄ Cl₄ N₂ O
Molecular Weight	416.129
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1ccc(CO[CH](Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1Cl)Cl)COC(Cn2ccnc2)c3ccc(cc3Cl)Cl
Canonical SMILES	CACTVS	3.385	Clc1ccc(CO[C@H](Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1Cl)Cl)CO[C@H](Cn2ccnc2)c3ccc(cc3Cl)Cl
InChI	InChI	1.06	InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m1/s1
InChIKey	InChI	1.06	BYBLEWFAAKGYCD-GOSISDBHSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.