Trisubstituted imidazoles

Description:

Imidazoles in which the imidazole ring is substituted at exactly three different positions.

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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. 4-Bromo-1-methylimidazole-2-carbaldehyde
    CAS: 79326-91-3 Formula: C5H5BrN2O Molecular Weight: 189.01
    Out of Stock Item #: B768763
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    Technical Identifiers
    SMILES
    CN1C=C(N=C1C=O)Br
    InChIKey
    AKEVNYPMPMIJPW-UHFFFAOYSA-N
    InChI
    1S/C5H5BrN2O/c1-8-2-4(6)7-5(8)3-9/h2-3H,1H3
  3. (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...
  4. ethyl 2-amino-1-methyl-1H-imidazole-5-carboxylate
    CAS: 177760-04-2 EC Number: 829-725-8 PubChem CID: 21503744 Formula: C7H11N3O2 Molecular Weight: 169.18
    In Stock Item #: E730065
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    IUPAC Name
    ethyl 2-amino-3-methylimidazole-4-carboxylate
    SMILES
    CCOC(=O)C1=CN=C(N1C)N
    InChIKey
    CXSLXRSUUJLZBT-UHFFFAOYSA-N
    InChI
    1S/C7H11N3O2/c1-3-12-6(11)5-4-9-7(8)10(5)2/h4H,3H2,1-2H3,(H2,8,9)
    Synonyms
    2-Amino-1-methyl-1H-imidazole-5-carboxylic acid ethyl ester
  5. 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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    Technical Identifiers
    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)
  6. 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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    Technical Identifiers
    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)
  7. 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)
  8. 2-Bromo-1-methyl-1H-imidazole-4-carboxylic acid
    CAS: 852181-03-4 PubChem CID: 51063808 Formula: C5H5BrN2O2 Molecular Weight: 205.01
    Out of Stock Item #: B733117
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    Technical Identifiers
    IUPAC Name
    2-bromo-1-methylimidazole-4-carboxylic acid
    SMILES
    CN1C=C(N=C1Br)C(=O)O
    InChIKey
    DYHJNZNZJCTGGW-UHFFFAOYSA-N
    InChI
    1S/C5H5BrN2O2/c1-8-2-3(4(9)10)7-5(8)6/h2H,1H3,(H,9,10)
  9. (5-bromo-1-methyl-1H-imidazol-2-yl)methanol
    CAS: 861362-06-3 PubChem CID: 23445171 Formula: C5H7BrN2O Molecular Weight: 191.03
    Out of Stock Item #: M731135
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    Technical Identifiers
    IUPAC Name
    (5-bromo-1-methylimidazol-2-yl)methanol
    SMILES
    CN1C(=CN=C1CO)Br
    InChIKey
    KXNDYMLJDLCBMV-UHFFFAOYSA-N
    InChI
    1S/C5H7BrN2O/c1-8-4(6)2-7-5(8)3-9/h2,9H,3H2,1H3
  10. Ethyl 4-((tert-butoxycarbonyl)amino)-1-methyl-1H-imidazole-2-carboxylate
    CAS: 128293-63-0 PubChem CID: 14488320 Formula: C12H19N3O4 Molecular Weight: 269.3
    Out of Stock Item #: E727957
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    Technical Identifiers
    IUPAC Name
    ethyl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylate
    SMILES
    CCOC(=O)C1=NC(=CN1C)NC(=O)OC(C)(C)C
    InChIKey
    VKDFVUFMCCONBE-UHFFFAOYSA-N
    InChI
    1S/C12H19N3O4/c1-6-18-10(16)9-13-8(7-15(9)5)14-11(17)19-12(2,3)4/h7H,6H2,1-5H3,(H,14,17)
  11. 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)
  12. 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)
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