4,5-Bis[(4-methoxyphenyl)methyl]-1,3-dihydroimidazol-2-imine

Details

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Internal ID 9213a7ec-a36a-4597-97ec-46afb8d5c707
Taxonomy Organoheterocyclic compounds > Azoles > Imidazoles > Trisubstituted imidazoles > 2,4,5-trisubstituted imidazoles
IUPAC Name 4,5-bis[(4-methoxyphenyl)methyl]-1H-imidazol-2-amine
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H21N3O2/c1-23-15-7-3-13(4-8-15)11-17-18(22-19(20)21-17)12-14-5-9-16(24-2)10-6-14/h3-10H,11-12H2,1-2H3,(H3,20,21,22)
InChI Key JIAXZLQLTAUEFZ-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C19H21N3O2
Molecular Weight 323.40 g/mol
Exact Mass 323.16337692 g/mol
Topological Polar Surface Area (TPSA) 73.20 Ų
XlogP 3.60

Synonyms

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4,5-Bis[(4-methoxyphenyl)methyl]-4-imidazolin-2-imine
4,5-bis[(4-methoxyphenyl)methyl]-1,3-dihydroimidazol-2-imine

2D Structure

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2D Structure of 4,5-Bis[(4-methoxyphenyl)methyl]-1,3-dihydroimidazol-2-imine

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.81% 96.09%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 95.34% 95.50%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.06% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.65% 94.00%
CHEMBL221 P23219 Cyclooxygenase-1 89.10% 90.17%
CHEMBL1952 P04818 Thymidylate synthase 88.61% 93.53%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.00% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.30% 97.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.90% 99.17%
CHEMBL2581 P07339 Cathepsin D 82.78% 98.95%
CHEMBL2535 P11166 Glucose transporter 81.69% 98.75%
CHEMBL4208 P20618 Proteasome component C5 81.59% 90.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.47% 86.33%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.99% 95.89%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 482905
LOTUS LTS0128023
wikiData Q105128873