L0C

4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-6-YL]METHYL}MORPHOLIN-4-IUM

Created:2008-10-17
Last modified:  2011-06-04

Help

Find related ligands:

Chemical Details

Formal Charge1
Atom Count53
Chiral Atom Count0
Bond Count57
Aromatic Bond Count22
2D diagram of L0C

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-6-YL]METHYL}MORPHOLIN-4-IUM
Systematic Name (OpenEye OEToolkits)4-fluoro-N-[3-[6-(1-oxa-4$l^{4}-azacyclohex-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
FormulaC22 H22 F N6 O2
Molecular Weight421.447
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.341Fc1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4cc(C[NH]5CCOCC5)ccc4n3
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C(=O)Nc2c[nH]nc2c3[nH]c4cc(ccc4n3)C[NH]5CCOCC5)F
Canonical SMILESCACTVS3.341 Fc1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4cc(C[NH]5CCOCC5)ccc4n3
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(ccc1C(=O)Nc2c[nH]nc2c3[nH]c4cc(ccc4n3)C[NH]5CCOCC5)F
InChIInChI1.03 InChI=1S/C22H21FN6O2/c23-16-4-2-15(3-5-16)22(30)27-19-12-24-28-20(19)21-25-17-6-1-14(11-18(17)26-21)13-29-7-9-31-10-8-29/h1-6,11-12H,7-10,13H2,(H,24,28)(H,25,26)(H,27,30)/p+1
InChIKeyInChI1.03 AKIIIZOJWRPEPQ-UHFFFAOYSA-O

Related Resource References

Resource NameReference
PubChem 135566357