5-[5-[(2-Hydroxy-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
PubChem CID: 162953827
Connections displayed (default: 10).
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| Topological Polar Surface Area | 118.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 771.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[5-[(2-hydroxy-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C24H25N5O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PMFYDAUHYZYYJM-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.457 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.147 |
| Compound Name | 5-[5-[(2-Hydroxy-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 463.186 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 463.186 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 463.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.744762800000001 |
| Inchi | InChI=1S/C24H25N5O5/c1-28-19(12-15-7-10-17(34-4)13-20(15)30)18(11-14-5-8-16(33-3)9-6-14)25-23(28)26-21-22(31)29(2)24(32)27-21/h5-10,13,30H,11-12H2,1-4H3,(H,25,26,27,32) |
| Smiles | CN1C(=C(N=C1N=C2C(=O)N(C(=O)N2)C)CC3=CC=C(C=C3)OC)CC4=C(C=C(C=C4)OC)O |
| Nring | 4.0 |
| 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