2-[(2S)-butan-2-yl]-5-phenyl-1H-imidazole
PubChem CID: 162981988
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 28.7 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 187.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-[(2S)-butan-2-yl]-5-phenyl-1H-imidazole |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C13H16N2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YZWPFKGGJAECGQ-JTQLQIEISA-N |
| Fcsp3 | 0.3076923076923077 |
| Logs | -3.88 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.954 |
| Compound Name | 2-[(2S)-butan-2-yl]-5-phenyl-1H-imidazole |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 200.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 200.131 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 200.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.467633666666667 |
| Inchi | InChI=1S/C13H16N2/c1-3-10(2)13-14-9-12(15-13)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,14,15)/t10-/m0/s1 |
| Smiles | CC[C@H](C)C1=NC=C(N1)C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Senna Occidentalis (Plant) Rel Props:Source_db:cmaup_ingredients