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Imidazoles
Description:
Compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.
Ancestors:
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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 -
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)
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1,5-Diphenyl-1H-imidazole-2-thiolIUPAC Name: 3,4-diphenyl-1H-imidazole-2-thioneSMILES: C1=CC=C(C=C1)C2=CNC(=S)N2C3=CC=CC=C3InChIKey: WVWPIDMVMOHYEG-UHFFFAOYSA-NInChI: InChI=1S/C15H12N2S/c18-15-16-11-14(12-7-3-1-4-8-12)17(15)13-9-5-2-6-10-13/h1-11H,(H,16,18)
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1-(1H-Imidazol-1-yl)-N,N-dimethylmethanamineCas Number: 23230-39-9 Compound CID: 3832073Formula: C6H11N3 Molecular Weight: 125.17IUPAC Name: 1-imidazol-1-yl-N,N-dimethylmethanamineSMILES: CN(C)CN1C=CN=C1InChIKey: VANQIHUBDZAOOM-UHFFFAOYSA-NInChI: InChI=1S/C6H11N3/c1-8(2)6-9-4-3-7-5-9/h3-5H,6H2,1-2H3
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(S)-1-(4-Phenyl-1H-imidazol-2-yl)ethanamineCas Number: 864825-23-0 Compound CID: 51715957Formula: C11H13N3IUPAC Name: (1S)-1-(5-phenyl-1H-imidazol-2-yl)ethanamineSMILES: CC(C1=NC=C(N1)C2=CC=CC=C2)NInChIKey: XQFMQMXJXWTGON-QMMMGPOBSA-NInChI: InChI=1S/C11H13N3/c1-8(12)11-13-7-10(14-11)9-5-3-2-4-6-9/h2-8H,12H2,1H3,(H,13,14)/t8-/m0/s1
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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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N-Methyl-4-(1-imidazolyl)benzylamineCas Number: 179873-45-1 Compound CID: 7157371Formula: C11H13N3 Molecular Weight: 187.24IUPAC Name: 1-(4-imidazol-1-ylphenyl)-N-methylmethanamineSMILES: CNCC1=CC=C(C=C1)N2C=CN=C2InChIKey: VZIBQMZVUZDSFA-UHFFFAOYSA-NInChI: InChI=1S/C11H13N3/c1-12-8-10-2-4-11(5-3-10)14-7-6-13-9-14/h2-7,9,12H,8H2,1H3
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Methyl 5-Nitroimidazole-4-carboxylateCas Number: 20271-20-9 Compound CID: 86222852Formula: C5H5N3O4 Molecular Weight: 171.11IUPAC Name: methyl 5-nitro-1H-imidazole-4-carboxylateSMILES: COC(=O)C1=C(NC=N1)[N+](=O)[O-]InChIKey: YGTWILAKCGDEML-UHFFFAOYSA-NInChI: InChI=1S/C5H5N3O4/c1-12-5(9)3-4(8(10)11)7-2-6-3/h2H,1H3,(H,6,7)
