2,4,5-trisubstituted imidazoles

Description:

Imidazoles in which the imidazole ring is substituted at positions 2, 4, and 5.

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  1. 4,4',4''-(1H-imidazole-2,4,5-triyl)tripyridine
    CAS: 23974-93-8 PubChem CID: 11415329 Formula: C18H13N5 Molecular Weight: 299.3
    Out of Stock Item #: T768445
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    Technical Identifiers
    IUPAC Name
    4-(2,4-dipyridin-4-yl-1H-imidazol-5-yl)pyridine
    SMILES
    C1=CN=CC=C1C2=C(N=C(N2)C3=CC=NC=C3)C4=CC=NC=C4
    InChIKey
    YJOAHXHOXMAHOG-UHFFFAOYSA-N
    InChI
    1S/C18H13N5/c1-7-19-8-2-13(1)16-17(14-3-9-20-10-4-14)23-18(22-16)15-5-11-21-12-6-15/h1-12H,(H,22,23)
  2. (2-Butyl-4-chloro-1H-imidazol-5-yl)methanol
    CAS: 79047-41-9 PubChem CID: 2735662 Formula: C8H13ClN2O Molecular Weight: 188.65
    Solid ≥98%
    In Stock Item #: M769220
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    IUPAC Name
    (2-butyl-4-chloro-1H-imidazol-5-yl)methanol
    SMILES
    CCCCC1=NC(=C(N1)CO)Cl
    InChIKey
    DXSZKDOOHOBZMT-UHFFFAOYSA-N
    InChI
    1S/C8H13ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h12H,2-5H2,1H3,(H,10,11)
    Synonyms
    2-Butyl-4-chloroimidazole-5-methanol | 2-n-Butyl-4-chloro-5-(hydroxymethyl)imidazole | 5-Chloro-2-butylimidazole-4-me...
  3. 2,4-Dimethyl-1H-imidazole-5-carbaldehyde
    CAS: 68282-52-0 PubChem CID: 13206432 Formula: C6H8N2O Molecular Weight: 124.14
    Out of Stock Item #: D727382
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    IUPAC Name
    2,5-dimethyl-1H-imidazole-4-carbaldehyde
    SMILES
    CC1=C(N=C(N1)C)C=O
    InChIKey
    MFFWADYNIVRMMM-UHFFFAOYSA-N
    InChI
    1S/C6H8N2O/c1-4-6(3-9)8-5(2)7-4/h3H,1-2H3,(H,7,8)
  4. 2-Propyl-1H-imidazole-4,5-dicarboxylic acid
    CAS: 58954-23-7 PubChem CID: 10236071 Formula: C8H10N2O4 Molecular Weight: 198.18
    Solid ≥95%
    Out of Stock Item #: P710606
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    IUPAC Name
    2-propyl-1H-imidazole-4,5-dicarboxylic acid
    SMILES
    CCCC1=NC(=C(N1)C(=O)O)C(=O)O
    InChIKey
    BGPZYJSOTDBJMV-UHFFFAOYSA-N
    InChI
    1S/C8H10N2O4/c1-2-3-4-9-5(7(11)12)6(10-4)8(13)14/h2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14)
  5. 2-Butyl-5-chloro-1H-imidazole-4-carboxylic acid
    CAS: 149968-28-5 PubChem CID: 11788921 Formula: C8H11ClN2O2
    Out of Stock Item #: B726274
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    Technical Identifiers
    IUPAC Name
    2-butyl-5-chloro-1H-imidazole-4-carboxylic acid
    SMILES
    CCCCC1=NC(=C(N1)Cl)C(=O)O
    InChIKey
    FETCESOEGZHHTR-UHFFFAOYSA-N
    InChI
    1S/C8H11ClN2O2/c1-2-3-4-5-10-6(8(12)13)7(9)11-5/h2-4H2,1H3,(H,10,11)(H,12,13)
  6. 4,5-Dimethyl-1H-imidazol-2-amine
    CAS: 13805-21-5 PubChem CID: 12485920 Formula: C5H9N3 Molecular Weight: 111.148
    Out of Stock Item #: D726855
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    Technical Identifiers
    IUPAC Name
    4,5-dimethyl-1H-imidazol-2-amine
    SMILES
    CC1=C(N=C(N1)N)C
    InChIKey
    JUWWVCSNLLWQBL-UHFFFAOYSA-N
    InChI
    1S/C5H9N3/c1-3-4(2)8-5(6)7-3/h1-2H3,(H3,6,7,8)
  7. 2,4-Dibromo-5-(trifluoromethyl)-1H-imidazole
    CAS: 81654-02-6 PubChem CID: 10589847 Formula: C4HBr2F3N2 Molecular Weight: 293.87
    Out of Stock Item #: D724874
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    Technical Identifiers
    IUPAC Name
    2,4-dibromo-5-(trifluoromethyl)-1H-imidazole
    SMILES
    C1(=C(N=C(N1)Br)Br)C(F)(F)F
    InChIKey
    JOTAIPGEZUZEEJ-UHFFFAOYSA-N
    InChI
    1S/C4HBr2F3N2/c5-2-1(4(7,8)9)10-3(6)11-2/h(H,10,11)
  8. 2-ethyl-1H-imidazole-4,5-dicarbonitrile
    CAS: 57610-38-5 PubChem CID: 5260593 Formula: C7H6N4 Molecular Weight: 146.15
    Out of Stock Item #: E709537
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    Technical Identifiers
    IUPAC Name
    2-ethyl-1H-imidazole-4,5-dicarbonitrile
    SMILES
    CCC1=NC(=C(N1)C#N)C#N
    InChIKey
    JBGUQPNUGTYMCR-UHFFFAOYSA-N
    InChI
    1S/C7H6N4/c1-2-7-10-5(3-8)6(4-9)11-7/h2H2,1H3,(H,10,11)
  9. 2-Methyl-1H-Imidazole-4,5-Dicarbonitrile
    CAS: 40056-53-9 PubChem CID: 3847698 Formula: C6H4N4 Molecular Weight: 132.13
    Out of Stock Item #: M708945
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    Technical Identifiers
    IUPAC Name
    2-methyl-1H-imidazole-4,5-dicarbonitrile
    SMILES
    CC1=NC(=C(N1)C#N)C#N
    InChIKey
    ZEAVNOQDMHVDLU-UHFFFAOYSA-N
    InChI
    1S/C6H4N4/c1-4-9-5(2-7)6(3-8)10-4/h1H3,(H,9,10)
  10. 4,5-Dichloro-2-methyl-1H-imidazole
    CAS: 15965-33-0 PubChem CID: 312390 Formula: C4H4Cl2N2 Molecular Weight: 150.99
    In Stock Item #: D697329
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    Technical Identifiers
    IUPAC Name
    4,5-dichloro-2-methyl-1H-imidazole
    SMILES
    CC1=NC(=C(N1)Cl)Cl
    InChIKey
    ZWRYWVBALYOSPQ-UHFFFAOYSA-N
    InChI
    1S/C4H4Cl2N2/c1-2-7-3(5)4(6)8-2/h1H3,(H,7,8)
  11. 2-Propyl-1H-imidazole-4,5-dicarbonitrile
    CAS: 51802-42-7 PubChem CID: 2763721 Formula: C8H8N4 Molecular Weight: 160.18
    Out of Stock Item #: P700584
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    Technical Identifiers
    IUPAC Name
    2-propyl-1H-imidazole-4,5-dicarbonitrile
    SMILES
    CCCC1=NC(=C(N1)C#N)C#N
    InChIKey
    ZPMNPYFFJQWLLV-UHFFFAOYSA-N
    InChI
    1S/C8H8N4/c1-2-3-8-11-6(4-9)7(5-10)12-8/h2-3H2,1H3,(H,11,12)
  12. ethyl 2-bromo-5-(trifluoromethyl)-1H-imidazole-4-carboxylate
    CAS: 444326-49-2 PubChem CID: 69423646 Formula: C7H6BrF3N2O2 Molecular Weight: 287.03
    Out of Stock Item #: E678055
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    Technical Identifiers
    SMILES
    CCOC(=O)C1=C(NC(=N1)Br)C(F)(F)F
    InChIKey
    VHSMVVWMAHWZER-UHFFFAOYSA-N
    InChI
    1S/C7H6BrF3N2O2/c1-2-15-5(14)3-4(7(9,10)11)13-6(8)12-3/h2H2,1H3,(H,12,13)
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