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Summary Geometry Related PDB entries

PF4

Summary

Name:	4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
Formula:	C21 H18 N2 O2 S
Formal charge:	0
Formula weight:	362.445 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
OpenEye OEToolkits	1.5.0	4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c(c(c1ccc(OC)cc1)nc2c3sccc3)c4ccc(OC)cc4
SMILES_CANONICAL	CACTVS	3.341	COc1ccc(cc1)c2[nH]c(nc2c3ccc(OC)cc3)c4sccc4
SMILES	CACTVS	3.341	COc1ccc(cc1)c2[nH]c(nc2c3ccc(OC)cc3)c4sccc4
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	COc1ccc(cc1)c2c(nc([nH]2)c3cccs3)c4ccc(cc4)OC
SMILES	OpenEye OEToolkits	1.5.0	COc1ccc(cc1)c2c(nc([nH]2)c3cccs3)c4ccc(cc4)OC
InChI	InChI	1.03	InChI=1S/C21H18N2O2S/c1-24-16-9-5-14(6-10-16)19-20(15-7-11-17(25-2)12-8-15)23-21(22-19)18-4-3-13-26-18/h3-13H,1-2H3,(H,22,23)
InChIKey	InChI	1.03	XBMULXNXJLWLLD-UHFFFAOYSA-N

235183

PDB entries from 2025-04-23

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