| Canonical Smiles | C1=CC(=CC=C1C2=CN=C(N2)N)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 5-(4-nitrophenyl)-1H-imidazol-2-amine |
| InChIKey | BJZNYQMDYLRHPF-UHFFFAOYSA-N |
| INCHI | 1S/C9H8N4O2/c10-9-11-5-8(12-9)6-1-3-7(4-2-6)13(14)15/h1-5H,(H3,10,11,12) |
| Molecular Weight | 204.19 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Phenylimidazoles |
| Alternative Parents | Nitrobenzenes Nitroaromatic compounds Aminoimidazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Primary amines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 5-phenylimidazole - 4-phenylimidazole - Nitrobenzene - Nitroaromatic compound - Aminoimidazole - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Primary amine - Organic zwitterion - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 204.190 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 204.065 Da |
| Monoisotopic Mass | 204.065 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 235.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
