RHT
4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine
Created: | 2020-09-30 |
Last modified: | 2021-05-26 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 31 |
Chiral Atom Count | 0 |
Bond Count | 33 |
Aromatic Bond Count | 16 |
Chemical Component Summary | |
---|---|
Name | 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine |
Systematic Name (OpenEye OEToolkits) | 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine |
Formula | C13 H13 N5 |
Molecular Weight | 239.276 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Cn1cnc2ccc(cc12)c3cc(N)nc(N)c3 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cnc2c1cc(cc2)c3cc(nc(c3)N)N |
Canonical SMILES | CACTVS | 3.385 | Cn1cnc2ccc(cc12)c3cc(N)nc(N)c3 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cnc2c1cc(cc2)c3cc(nc(c3)N)N |
InChI | InChI | 1.03 | InChI=1S/C13H13N5/c1-18-7-16-10-3-2-8(4-11(10)18)9-5-12(14)17-13(15)6-9/h2-7H,1H3,(H4,14,15,17) |
InChIKey | InChI | 1.03 | SOLATORCLYYKKR-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 155920135 |