AGX

(1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate

Created:2009-09-18
Last modified:  2011-06-04

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count1
Bond Count38
Aromatic Bond Count16
2D diagram of AGX

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

Name(1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate
Systematic Name (OpenEye OEToolkits)[(1S)-1-(1H-benzimidazol-2-yl)ethyl] N-(3,4-dichlorophenyl)carbamate
FormulaC16 H13 Cl2 N3 O2
Molecular Weight350.199
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02Clc1ccc(cc1Cl)NC(=O)OC(c3nc2ccccc2n3)C
SMILESCACTVS3.352C[CH](OC(=O)Nc1ccc(Cl)c(Cl)c1)c2[nH]c3ccccc3n2
SMILESOpenEye OEToolkits1.7.0CC(c1[nH]c2ccccc2n1)OC(=O)Nc3ccc(c(c3)Cl)Cl
Canonical SMILESCACTVS3.352 C[C@H](OC(=O)Nc1ccc(Cl)c(Cl)c1)c2[nH]c3ccccc3n2
Canonical SMILESOpenEye OEToolkits1.7.0 C[C@@H](c1[nH]c2ccccc2n1)OC(=O)Nc3ccc(c(c3)Cl)Cl
InChIInChI1.03 InChI=1S/C16H13Cl2N3O2/c1-9(15-20-13-4-2-3-5-14(13)21-15)23-16(22)19-10-6-7-11(17)12(18)8-10/h2-9H,1H3,(H,19,22)(H,20,21)/t9-/m0/s1
InChIKeyInChI1.03 MVMZWHAHBIJEDT-VIFPVBQESA-N

Related Resource References

Resource NameReference
PubChem 44183922