4-[[2-Amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2-methoxyphenol
PubChem CID: 21578946
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| Topological Polar Surface Area | 82.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 431.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2-methoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C20H23N3O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YZPLNSCOENIBGH-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.131 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.179 |
| Compound Name | 4-[[2-Amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2-methoxyphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 353.174 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 353.174 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 353.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.834362553846153 |
| Inchi | InChI=1S/C20H23N3O3/c1-23-17(11-14-6-9-18(24)19(12-14)26-3)16(22-20(23)21)10-13-4-7-15(25-2)8-5-13/h4-9,12,24H,10-11H2,1-3H3,(H2,21,22) |
| Smiles | CN1C(=C(N=C1N)CC2=CC=C(C=C2)OC)CC3=CC(=C(C=C3)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lupinus Albus (Plant) Rel Props:Source_db:cmaup_ingredients