Naamine A
PubChem CID: 10019087
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| Compound Synonyms | NAAMINE A, 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]phenol, 4-((2-amino-5-((4-methoxyphenyl)methyl)-1-methylimidazol-4-yl)methyl)phenol, 4-((2-amino-5-((4-methoxyphenyl)methyl)-3-methylimidazol-4-yl)methyl)phenol, 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-1-methylimidazol-4-yl]methyl]phenol, SCHEMBL902165, CHEMBL246083, SCHEMBL23353538, 110189-03-2 |
|---|---|
| Topological Polar Surface Area | 73.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 379.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C19H21N3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UKDSUTMIUKSRCH-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -2.757 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.336 |
| Compound Name | Naamine A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 323.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 323.163 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 323.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.773421866666667 |
| Inchi | InChI=1S/C19H21N3O2/c1-22-18(12-14-3-7-15(23)8-4-14)17(21-19(22)20)11-13-5-9-16(24-2)10-6-13/h3-10,23H,11-12H2,1-2H3,(H2,20,21) |
| Smiles | CN1C(=C(N=C1N)CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)O |
| 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