(5Z)-5-[5-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-1,3-dimethylimidazolidine-2,4-dione
PubChem CID: 23256577
Connections displayed (default: 10).
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| Topological Polar Surface Area | 100.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 745.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5Z)-5-[5-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-1,3-dimethylimidazolidine-2,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C24H25N5O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VGUYRAKOXCXVOH-QLYXXIJNSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.355 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.714 |
| Compound Name | (5Z)-5-[5-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-1,3-dimethylimidazolidine-2,4-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 447.191 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 447.191 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 447.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.653481121212122 |
| Inchi | InChI=1S/C24H25N5O4/c1-27-20(14-16-5-9-17(30)10-6-16)19(13-15-7-11-18(33-4)12-8-15)25-23(27)26-21-22(31)29(3)24(32)28(21)2/h5-12,30H,13-14H2,1-4H3/b26-21- |
| Smiles | CN1C(=C(N=C1/N=C\2/C(=O)N(C(=O)N2C)C)CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 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