2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-N-(2-phenylethyl)acetamide
PubChem CID: 568837
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-N-(2-phenylethyl)acetamide, 2-(2-Methyl-5-nitro-imidazol-1-yl)-N-phenethyl-acetamide, 2-[2-methyl-5-nitro-imidazol-1-yl]-N-phenethyl-acetamide, Oprea1_284161, MLS000728733, CHEMBL1344940, ZEXQVJWFSDFLEP-UHFFFAOYSA-N, HMS2681C14, STK697367, AKOS001732213, SMR000307012, SR-01000536090, SR-01000536090-1, 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-N-(2-phenylethyl)acetamide # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 92.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC(CCCC1CCCCC1)CC1CCCC1 |
| Deep Smiles | O=CCncC)ncc5[N+]=O)[O-]))))))))NCCcccccc6 |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Azoles |
| Scaffold Graph Node Level | OC(CN1CCNC1)NCCC1CCCCC1 |
| Classyfire Subclass | Imidazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 366.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-methyl-5-nitroimidazol-1-yl)-N-(2-phenylethyl)acetamide |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H16N4O3 |
| Scaffold Graph Node Bond Level | O=C(Cn1ccnc1)NCCc1ccccc1 |
| Inchi Key | ZEXQVJWFSDFLEP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 2-[2-methyl-5-nitro-imidazol-1-yl]-n-phenethyl-acetamide |
| Esol Class | Soluble |
| Functional Groups | CNC(C)=O, c[N+](=O)[O-], cn(c)C, cnc |
| Compound Name | 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-N-(2-phenylethyl)acetamide |
| Exact Mass | 288.122 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.122 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 288.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H16N4O3/c1-11-16-9-14(18(20)21)17(11)10-13(19)15-8-7-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,15,19) |
| Smiles | CC1=NC=C(N1CC(=O)NCCC2=CC=CC=C2)[N+](=O)[O-] |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Mimosa Pudica (Plant) Rel Props:Reference:ISBN:9770972795006