FZ3

1-[3-(4-chlorophenyl)propyl]imidazole

Created: 2020-07-08
Last modified:  2020-12-02

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count0
Bond Count29
Aromatic Bond Count11
2D diagram of FZ3

Chemical Component Summary

Name1-[3-(4-chlorophenyl)propyl]imidazole
Systematic Name (OpenEye OEToolkits)1-[3-(4-chlorophenyl)propyl]imidazole
FormulaC12 H13 Cl N2
Molecular Weight220.698
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Clc1ccc(CCCn2ccnc2)cc1
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1CCCn2ccnc2)Cl
Canonical SMILESCACTVS3.385 Clc1ccc(CCCn2ccnc2)cc1
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(ccc1CCCn2ccnc2)Cl
InChIInChI1.03 InChI=1S/C12H13ClN2/c13-12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h3-7,9-10H,1-2,8H2
InChIKeyInChI1.03 CLJJKXWBLJQDDT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 9991046
ChEMBL CHEMBL213493