4-[(3,4-Dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-amine
PubChem CID: 5324778
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | ISONAAMINE C, 4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-amine, CHEMBL519682, InChI=1/C20H23N3O3/c1-24-17-7-4-14(5-8-17)12-23-13-16(22-20(23)21)10-15-6-9-18(25-2)19(11-15)26-3/h4-9,11,13H,10,12H2,1-3H3,(H2,21,22 |
|---|---|
| Topological Polar Surface Area | 71.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 417.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-amine |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C20H23N3O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NAVLFLWMOIRLJG-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.43 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.703 |
| Compound Name | 4-[(3,4-Dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-amine |
| 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 | -4.749462553846155 |
| Inchi | InChI=1S/C20H23N3O3/c1-24-17-7-4-14(5-8-17)12-23-13-16(22-20(23)21)10-15-6-9-18(25-2)19(11-15)26-3/h4-9,11,13H,10,12H2,1-3H3,(H2,21,22) |
| Smiles | COC1=CC=C(C=C1)CN2C=C(N=C2N)CC3=CC(=C(C=C3)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lupinus Albus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all