P6Z
3-imidazol-1-ylbenzaldehyde
Created: | 2020-04-16 |
Last modified: | 2024-09-27 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 21 |
Chiral Atom Count | 0 |
Bond Count | 22 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
---|---|
Name | 3-imidazol-1-ylbenzaldehyde |
Systematic Name (OpenEye OEToolkits) | 3-imidazol-1-ylbenzaldehyde |
Formula | C10 H8 N2 O |
Molecular Weight | 172.183 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | O=Cc1cccc(c1)n2ccnc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)n2ccnc2)C=O |
Canonical SMILES | CACTVS | 3.385 | O=Cc1cccc(c1)n2ccnc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)n2ccnc2)C=O |
InChI | InChI | 1.03 | InChI=1S/C10H8N2O/c13-7-9-2-1-3-10(6-9)12-5-4-11-8-12/h1-8H |
InChIKey | InChI | 1.03 | CGTQCZGDVDTRDI-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 15650408 |