N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide
PubChem CID: 86418
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| Compound Synonyms | 105827-78-9, N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide, IMIDACLOPRID [MI], IMIDACLOPRID [HSDB], MLS001304087, IMIDACLOPRID [GREEN BOOK], HMS2231F05, HMS3373H06, BDBM50212288, 1-((6-Chloro-3-pyridinyl)methyl)-4,5-dihydro-N-nitro-imidazol-2-amine, AKOS015895351, AKOS015994761, SMR000718777, DB-042420, E79264, SBI-0654649.0001, AB00876233-04, A801327, BRD-K76609936-001-08-4, 1-((6-Chloro-3-pyridinyl)methyl)-4,5-dihydro-N-nitro-1H-imidazol-2-amine, 2-chloro-5-{[2-(nitroamino)-4,5-dihydro-1H-imidazol-1-yl]methyl}pyridine, N-[1-[(6-chloranylpyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide, N-{1-[(6-Chloro-3-pyridyl)methyl]-4,5-dihydroimidazol-2-yl}nitramide, N-(1-((6-chloropyridin-3-yl)methyl)-4,5-dihydro-1H-imidazol-2-yl)nitramide |
|---|---|
| Topological Polar Surface Area | 86.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Description | Insecticide Imidacloprid is a neonicotinoid, which is a class of neuro-active insecticides modeled after nicotine. A patented chemical, Imidacloprid is manufactured by Bayer Cropscience (part of Bayer AG) and sold under trade names Kohinor, Admire, Advantage, Gaucho, Merit, Confidor, Hachikusan, Premise, Prothor, and Winner. It is marketed as pest control, seed treatment, an insecticide spray, termite control, flea control, and a systemic insecticide. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 319.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide |
| Prediction Hob | 1.0 |
| Class | Amines |
| Target Id | NPT424, NPT410 |
| Xlogp | 0.8 |
| Superclass | Organonitrogen compounds |
| Subclass | Aralkylamines |
| Molecular Formula | C9H10ClN5O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YWTYJOPNNQFBPC-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -1.56 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.499 |
| Synonyms | (e)-imidacloprid, (z)-imidacloprid, 1-((6-chloro-3-Pyridinyl)methyl)-N-nitro-2-imidazolidinimine, 1-((6-Chloro-3-pyridyl)methyl)-N-nitro-2-imidazolidinimine, 1-(2-Chloro-5-pyridylmethyl)-2-(nitroimino)imidazolidine, 1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-1H-imidazol-2-amine, 9CI, Admire, Advantage, Advantage flea adulticide, Bayer brand of imidacloprid, Confidor, Confidor 200 SL, Confidor SL, Gaucho, Imazethapyr, Imidacloprid (old RN), Imidacloprid [iso], Merit, Merit (insecticide), Premise 75, Provado |
| Substituent Name | Aralkylamine, Pyridine, Aryl halide, Aryl chloride, Heteroaromatic compound, Nitramine, 2-imidazoline, Organic nitro compound, Tertiary amine, Guanidine, Azacycle, Organoheterocyclic compound, Organic 1,3-dipolar compound, Propargyl-type 1,3-dipolar organic compound, Allyl-type 1,3-dipolar organic compound, Carboximidamide, Hydrocarbon derivative, Organic salt, Organochloride, Organohalogen compound, Organic cation, Aromatic heteromonocyclic compound |
| Compound Name | N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 255.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 255.052 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 255.66 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.913699470588235 |
| Inchi | InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13) |
| Smiles | C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hunteria Zeylanica (Plant) Rel Props:Source_db:cmaup_ingredients