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Substituted imidazoles
Description:
Heterocyclic compounds containing an imidazole ring substituted at one or more positions.
Ancestors:
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2-(1H-Imidazol-2-yl)acetic acidCas Number: 189502-92-9 Compound CID: 17935379Formula: C5H6N2O2 Molecular Weight: 126.11IUPAC Name: 2-(1H-imidazol-2-yl)acetic acidSMILES: C1=CN=C(N1)CC(=O)OInChIKey: WUJUYHMGDPTLMG-UHFFFAOYSA-NInChI: InChI=1S/C5H6N2O2/c8-5(9)3-4-6-1-2-7-4/h1-2H,3H2,(H,6,7)(H,8,9)
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1,4-DinitroimidazoleCas Number: 19182-81-1 Compound CID: 5169496Formula: C3H2N4O4 Molecular Weight: 158.07IUPAC Name: 1,4-dinitroimidazoleSMILES: C1=C(N=CN1[N+](=O)[O-])[N+](=O)[O-]InChIKey: HZPSREFSUPXCMN-UHFFFAOYSA-NInChI: InChI=1S/C3H2N4O4/c8-6(9)3-1-5(2-4-3)7(10)11/h1-2H
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1H-Imidazo[1,2-b]pyrazoleCas Number: 251-80-9 Compound CID: 159609Formula: C5H5N3 Molecular Weight: 107.11IUPAC Name: 5H-imidazo[1,2-b]pyrazoleSMILES: C1=CNN2C1=NC=C2InChIKey: MFGQIJCMHXZHHP-UHFFFAOYSA-NInChI: InChI=1S/C5H5N3/c1-2-7-8-4-3-6-5(1)8/h1-4,7H
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1-Methyl-1H-imidazole-5-boronic acidCas Number: 849062-28-8 Compound CID: 53407233Formula: C4H7BN2O2 Molecular Weight: 125.92IUPAC Name: (3-methylimidazol-4-yl)boronic acidSMILES: B(C1=CN=CN1C)(O)OInChIKey: DLUBTALXEVEGHN-UHFFFAOYSA-NInChI: InChI=1S/C4H7BN2O2/c1-7-3-6-2-4(7)5(8)9/h2-3,8-9H,1H3
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1-HexadecylimidazoleCas Number: 58175-55-6 Compound CID: 12415614Formula: C19H36N2 Molecular Weight: 292.5IUPAC Name: 1-hexadecylimidazoleSMILES: CCCCCCCCCCCCCCCCN1C=CN=C1InChIKey: ORIZJEOWAFVTGA-UHFFFAOYSA-NInChI: InChI=1S/C19H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-20-19-21/h16,18-19H,2-15,17H2,1H3
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1-Methyl-1H-imidazol-4-amineCas Number: 79578-98-6 Compound CID: 10898649IUPAC Name: 1-methylimidazol-4-amineSMILES: CN1C=C(N=C1)NInChIKey: JABBOSBXQIXTPB-UHFFFAOYSA-NInChI: InChI=1S/C4H7N3/c1-7-2-4(5)6-3-7/h2-3H,5H2,1H3
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1-Methyl-1H-imidazol-5-amine hydrochlorideCas Number: 1588441-15-9 Compound CID: 71464346Formula: C4H8ClN3IUPAC Name: 3-methylimidazol-4-amine;hydrochlorideSMILES: CN1C=NC=C1N.ClInChIKey: IBCVQLCVHKETTQ-UHFFFAOYSA-NInChI: InChI=1S/C4H7N3.ClH/c1-7-3-6-2-4(7)5;/h2-3H,5H2,1H3;1H
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1-Hexyl-2,3-dimethyl-1H-imidazol-3-ium chlorideCas Number: 455270-59-4 Compound CID: 2734169Formula: C11H21ClN2 Molecular Weight: 216.75IUPAC Name: 1-hexyl-2,3-dimethylimidazol-3-ium;chlorideSMILES: CCCCCCN1C=C[N+](=C1C)C.[Cl-]InChIKey: NCTQEXWJEPRHLV-UHFFFAOYSA-MInChI: InChI=1S/C11H21N2.ClH/c1-4-5-6-7-8-13-10-9-12(3)11(13)2;/h9-10H,4-8H2,1-3H3;1H/q+1;/p-1Synonyms: chloride | 1-hexyl-2,3-dimethylimidazol-3-ium | 1-Hexyl-2,3-dimethylimidazolium chloride
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1-Methyl-1H-imidazol-2-amine hydrochlorideCas Number: 1450-94-8 Compound CID: 10154076Formula: C4H8ClN3 Molecular Weight: 133.58IUPAC Name: 1-methylimidazol-2-amine;hydrochlorideSMILES: CN1C=CN=C1N.ClInChIKey: JWMWVKLQTDSFTD-UHFFFAOYSA-NInChI: InChI=1S/C4H7N3.ClH/c1-7-3-2-6-4(7)5;/h2-3H,1H3,(H2,5,6);1H
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1-(o-Tolyl)-1H-imidazole-2-thiolCas Number: 25372-14-9 Compound CID: 4961771Formula: C10H10N2S Molecular Weight: 190.27IUPAC Name: 3-(2-methylphenyl)-1H-imidazole-2-thioneSMILES: CC1=CC=CC=C1N2C=CNC2=SInChIKey: OCZKBYRAKWKTEU-UHFFFAOYSA-NInChI: InChI=1S/C10H10N2S/c1-8-4-2-3-5-9(8)12-7-6-11-10(12)13/h2-7H,1H3,(H,11,13)
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1-(4-Fluorophenyl)-1H-imidazole-2(3H)-thioneCas Number: 17452-07-2 Compound CID: 2737475Formula: C9H7FN2S Molecular Weight: 194.23IUPAC Name: 3-(4-fluorophenyl)-1H-imidazole-2-thioneSMILES: C1=CC(=CC=C1N2C=CNC2=S)FInChIKey: GWYZXHXGBADGGC-UHFFFAOYSA-NInChI: InChI=1S/C9H7FN2S/c10-7-1-3-8(4-2-7)12-6-5-11-9(12)13/h1-6H,(H,11,13)Synonyms: 1,3-Dihydro-1-(4-fluorophenyl)-2H-imidazole-2-thione | 1-(4-Fluorophenyl)-1H-iMidazole-2(3H)-thione | 1-(4-Fluorophen...
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1-(4-Fluorophenyl)-1H-imidazole-4-carboxylic acidCas Number: 114067-97-9 Compound CID: 17390048Formula: C10H7FN2O2 Molecular Weight: 206.17IUPAC Name: 1-(4-fluorophenyl)imidazole-4-carboxylic acidSMILES: C1=CC(=CC=C1N2C=C(N=C2)C(=O)O)FInChIKey: SOGAKFHVIAQANZ-UHFFFAOYSA-NInChI: InChI=1S/C10H7FN2O2/c11-7-1-3-8(4-2-7)13-5-9(10(14)15)12-6-13/h1-6H,(H,14,15)
