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Trisubstituted imidazoles
Description:
Imidazoles in which the imidazole ring is substituted at exactly three different positions.
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4，4'，4''-(1H-imidazole-2，4，5-triyl)tripyridineCas Number: 23974-93-8 Compound CID: 11415329Formula: C18H13N5 Molecular Weight: 299.3IUPAC Name: 4-(2,4-dipyridin-4-yl-1H-imidazol-5-yl)pyridineSMILES: C1=CN=CC=C1C2=C(N=C(N2)C3=CC=NC=C3)C4=CC=NC=C4InChIKey: YJOAHXHOXMAHOG-UHFFFAOYSA-NInChI: 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) -
4-Bromo-1-methylimidazole-2-carbaldehydeCas Number: 79326-91-3Formula: C5H5BrN2O Molecular Weight: 189.01SMILES: CN1C=C(N=C1C=O)BrInChIKey: AKEVNYPMPMIJPW-UHFFFAOYSA-NInChI: InChI=1S/C5H5BrN2O/c1-8-2-4(6)7-5(8)3-9/h2-3H,1H3
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(2-Butyl-4-chloro-1H-imidazol-5-yl)methanolCas Number: 79047-41-9 Compound CID: 2735662Formula: C8H13ClN2O Molecular Weight: 188.65IUPAC Name: (2-butyl-4-chloro-1H-imidazol-5-yl)methanolSMILES: CCCCC1=NC(=C(N1)CO)ClInChIKey: DXSZKDOOHOBZMT-UHFFFAOYSA-NInChI: 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... -
ethyl 2-amino-1-methyl-1H-imidazole-5-carboxylateFormula: C7H11N3O2 Molecular Weight: 169.18IUPAC Name: ethyl 2-amino-3-methylimidazole-4-carboxylateSMILES: CCOC(=O)C1=CN=C(N1C)NInChIKey: CXSLXRSUUJLZBT-UHFFFAOYSA-NInChI: 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
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2，4-Dimethyl-1H-imidazole-5-carbaldehydeCas Number: 68282-52-0 Compound CID: 13206432Formula: C6H8N2O Molecular Weight: 124.14IUPAC Name: 2,5-dimethyl-1H-imidazole-4-carbaldehydeSMILES: CC1=C(N=C(N1)C)C=OInChIKey: MFFWADYNIVRMMM-UHFFFAOYSA-NInChI: InChI=1S/C6H8N2O/c1-4-6(3-9)8-5(2)7-4/h3H,1-2H3,(H,7,8)
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2-Propyl-1H-imidazole-4，5-dicarboxylic acidCas Number: 58954-23-7 Compound CID: 10236071Formula: C8H10N2O4 Molecular Weight: 198.18IUPAC Name: 2-propyl-1H-imidazole-4,5-dicarboxylic acidSMILES: CCCC1=NC(=C(N1)C(=O)O)C(=O)OInChIKey: BGPZYJSOTDBJMV-UHFFFAOYSA-NInChI: 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)
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2-Butyl-5-chloro-1H-imidazole-4-carboxylic acidCas Number: 149968-28-5 Compound CID: 11788921Formula: C8H11ClN2O2IUPAC Name: 2-butyl-5-chloro-1H-imidazole-4-carboxylic acidSMILES: CCCCC1=NC(=C(N1)Cl)C(=O)OInChIKey: FETCESOEGZHHTR-UHFFFAOYSA-NInChI: 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)
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2-Bromo-1-methyl-1H-imidazole-4-carboxylic acidCas Number: 852181-03-4 Compound CID: 51063808Formula: C5H5BrN2O2 Molecular Weight: 205.01IUPAC Name: 2-bromo-1-methylimidazole-4-carboxylic acidSMILES: CN1C=C(N=C1Br)C(=O)OInChIKey: DYHJNZNZJCTGGW-UHFFFAOYSA-NInChI: InChI=1S/C5H5BrN2O2/c1-8-2-3(4(9)10)7-5(8)6/h2H,1H3,(H,9,10)
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(5-bromo-1-methyl-1H-imidazol-2-yl)methanolCas Number: 861362-06-3 Compound CID: 23445171Formula: C5H7BrN2O Molecular Weight: 191.03IUPAC Name: (5-bromo-1-methylimidazol-2-yl)methanolSMILES: CN1C(=CN=C1CO)BrInChIKey: KXNDYMLJDLCBMV-UHFFFAOYSA-NInChI: InChI=1S/C5H7BrN2O/c1-8-4(6)2-7-5(8)3-9/h2,9H,3H2,1H3
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Ethyl 4-((tert-butoxycarbonyl)amino)-1-methyl-1H-imidazole-2-carboxylateCas Number: 128293-63-0 Compound CID: 14488320Formula: C12H19N3O4 Molecular Weight: 269.3IUPAC Name: ethyl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylateSMILES: CCOC(=O)C1=NC(=CN1C)NC(=O)OC(C)(C)CInChIKey: VKDFVUFMCCONBE-UHFFFAOYSA-NInChI: 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)
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4，5-Dimethyl-1H-imidazol-2-amineCas Number: 13805-21-5 Compound CID: 12485920Formula: C5H9N3 Molecular Weight: 111.148IUPAC Name: 4,5-dimethyl-1H-imidazol-2-amineSMILES: CC1=C(N=C(N1)N)CInChIKey: JUWWVCSNLLWQBL-UHFFFAOYSA-NInChI: InChI=1S/C5H9N3/c1-3-4(2)8-5(6)7-3/h1-2H3,(H3,6,7,8)
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2，4-Dibromo-5-(trifluoromethyl)-1H-imidazoleCas Number: 81654-02-6 Compound CID: 10589847Formula: C4HBr2F3N2 Molecular Weight: 293.87IUPAC Name: 2,4-dibromo-5-(trifluoromethyl)-1H-imidazoleSMILES: C1(=C(N=C(N1)Br)Br)C(F)(F)FInChIKey: JOTAIPGEZUZEEJ-UHFFFAOYSA-NInChI: InChI=1S/C4HBr2F3N2/c5-2-1(4(7,8)9)10-3(6)11-2/h(H,10,11)
