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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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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) -
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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2-(Trifluoromethyl)-1H-imidazole-5-carboxylic acidCas Number: 78016-98-5 Compound CID: 12699991Formula: C5H3F3N2O2 Molecular Weight: 180.086IUPAC Name: 2-(trifluoromethyl)-1H-imidazole-5-carboxylic acidSMILES: C1=C(NC(=N1)C(F)(F)F)C(=O)OInChIKey: DQPSZGHYQKCZEY-UHFFFAOYSA-NInChI: InChI=1S/C5H3F3N2O2/c6-5(7,8)4-9-1-2(10-4)3(11)12/h1H,(H,9,10)(H,11,12)
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2-(6-Methyl-2-(p-tolyl)imidazo[1,2-a]pyridin-3-yl)acetonitrileCas Number: 768398-03-4 Compound CID: 13620388IUPAC Name: 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrileSMILES: CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC#NInChIKey: OLZONQCQODMZSS-UHFFFAOYSA-NInChI: InChI=1S/C17H15N3/c1-12-3-6-14(7-4-12)17-15(9-10-18)20-11-13(2)5-8-16(20)19-17/h3-8,11H,9H2,1-2H3
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2-(4-(4，4，5，5-Tetramethyl-1，3，2-dioxaborolan-2-yl)phenyl)-1H-imidazoleCas Number: 1229584-17-1 Compound CID: 59619662IUPAC Name: 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazoleSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=NC=CN3InChIKey: ABLIMXXAJWRGPB-UHFFFAOYSA-NInChI: InChI=1S/C15H19BN2O2/c1-14(2)15(3,4)20-16(19-14)12-7-5-11(6-8-12)13-17-9-10-18-13/h5-10H,1-4H3,(H,17,18)
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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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1H-Imidazole-2-sulfonyl chlorideCas Number: 281221-70-3 Compound CID: 20041793Formula: C3H3ClN2O2S Molecular Weight: 166.58IUPAC Name: 1H-imidazole-2-sulfonyl chlorideSMILES: C1=CN=C(N1)S(=O)(=O)ClInChIKey: RWHIKEMYOLGZOC-UHFFFAOYSA-NInChI: InChI=1S/C3H3ClN2O2S/c4-9(7,8)3-5-1-2-6-3/h1-2H,(H,5,6)
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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
