PIM
Summary
Name: | 4-PHENYL-1H-IMIDAZOLE |
Formula: | C9 H8 N2 |
Formal charge: | 0 |
Formula weight: | 144.173 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 5-phenyl-1H-imidazole |
OpenEye OEToolkits | 1.5.0 | 4-phenyl-3H-imidazole |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n2cc(c1ccccc1)nc2 |
SMILES_CANONICAL | CACTVS | 3.341 | [nH]1cncc1c2ccccc2 |
SMILES | CACTVS | 3.341 | [nH]1cncc1c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2cnc[nH]2 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2cnc[nH]2 |
InChI | InChI | 1.03 | InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11) |
InChIKey | InChI | 1.03 | XHLKOHSAWQPOFO-UHFFFAOYSA-N |