RYM
4-(benzimidazol-1-ylmethyl)benzenecarbonitrile
Created: | 2020-03-02 |
Last modified: | 2020-07-01 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 29 |
Chiral Atom Count | 0 |
Bond Count | 31 |
Aromatic Bond Count | 16 |
Chemical Component Summary | |
---|---|
Name | 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile |
Systematic Name (OpenEye OEToolkits) | 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile |
Formula | C15 H11 N3 |
Molecular Weight | 233.268 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | N#Cc1ccc(Cn2cnc3ccccc23)cc1 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)ncn2Cc3ccc(cc3)C#N |
Canonical SMILES | CACTVS | 3.385 | N#Cc1ccc(Cn2cnc3ccccc23)cc1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)ncn2Cc3ccc(cc3)C#N |
InChI | InChI | 1.03 | InChI=1S/C15H11N3/c16-9-12-5-7-13(8-6-12)10-18-11-17-14-3-1-2-4-15(14)18/h1-8,11H,10H2 |
InChIKey | InChI | 1.03 | KZMYEQMVROHICO-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 863558 |