2WL

(1-benzyl-1H-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone

Created:2014-03-12
Last modified:  2014-07-02

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Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count0
Bond Count51
Aromatic Bond Count17
2D diagram of 2WL

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Chemical Component Summary

Name(1-benzyl-1H-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone
Systematic Name (OpenEye OEToolkits)[4-(2-chlorophenyl)piperazin-1-yl]-[1-(phenylmethyl)imidazol-4-yl]methanone
FormulaC21 H21 Cl N4 O
Molecular Weight380.871
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1ncn(c1)Cc2ccccc2)N4CCN(c3ccccc3Cl)CC4
SMILESCACTVS3.385Clc1ccccc1N2CCN(CC2)C(=O)c3cn(Cc4ccccc4)cn3
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)Cn2cc(nc2)C(=O)N3CCN(CC3)c4ccccc4Cl
Canonical SMILESCACTVS3.385 Clc1ccccc1N2CCN(CC2)C(=O)c3cn(Cc4ccccc4)cn3
Canonical SMILESOpenEye OEToolkits1.7.6 c1ccc(cc1)Cn2cc(nc2)C(=O)N3CCN(CC3)c4ccccc4Cl
InChIInChI1.03 InChI=1S/C21H21ClN4O/c22-18-8-4-5-9-20(18)25-10-12-26(13-11-25)21(27)19-15-24(16-23-19)14-17-6-2-1-3-7-17/h1-9,15-16H,10-14H2
InChIKeyInChI1.03 ITFKVPSANNTLSY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3288135
PubChem 74983356
ChEMBL CHEMBL3288135