2F5

1H-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone

Created: 2013-10-07
Last modified:  2013-10-23

Find related ligands:

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count0
Bond Count53
Aromatic Bond Count22
2D diagram of 2F5

Chemical Component Summary

Name1H-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone
Systematic Name (OpenEye OEToolkits)1H-benzimidazol-2-yl-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone
FormulaC22 H19 N5 O3
Molecular Weight401.418
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(c2nc1ccccc1n2)c5ccc(Oc4nccnc4N3CCOCC3)cc5
SMILESCACTVS3.385O=C(c1[nH]c2ccccc2n1)c3ccc(Oc4nccnc4N5CCOCC5)cc3
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(nccn4)N5CCOCC5
Canonical SMILESCACTVS3.385 O=C(c1[nH]c2ccccc2n1)c3ccc(Oc4nccnc4N5CCOCC5)cc3
Canonical SMILESOpenEye OEToolkits1.7.6 c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(nccn4)N5CCOCC5
InChIInChI1.03 InChI=1S/C22H19N5O3/c28-19(20-25-17-3-1-2-4-18(17)26-20)15-5-7-16(8-6-15)30-22-21(23-9-10-24-22)27-11-13-29-14-12-27/h1-10H,11-14H2,(H,25,26)
InChIKeyInChI1.03 YWFDAAMTUBHJGI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3086091
PubChem 46207938
ChEMBL CHEMBL3086091