2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole
PubChem CID: 9855571
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | SCHEMBL12120608, SCHEMBL20341004 |
|---|---|
| Topological Polar Surface Area | 28.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 132.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C10H18N2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UMPRAKALVYBCJZ-UHFFFAOYSA-N |
| Fcsp3 | 0.7 |
| Logs | -2.88 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.693 |
| Compound Name | 2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 166.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.147 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 166.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7766949333333333 |
| Inchi | InChI=1S/C10H18N2/c1-7(2)5-10-11-6-9(12-10)8(3)4/h6-8H,5H2,1-4H3,(H,11,12) |
| Smiles | CC(C)CC1=NC=C(N1)C(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Senna Occidentalis (Plant) Rel Props:Source_db:cmaup_ingredients