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Substituted imidazoles
Description:
Heterocyclic compounds containing an imidazole ring substituted at one or more positions.
Ancestors:
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1-Butyl-3-methylimidazolium methanesulfonateCas Number: 342789-81-5Formula: C9H18N2O3S Molecular Weight: 234.32IUPAC Name: 1-butyl-3-methylimidazol-3-ium;methanesulfonateSMILES: CCCCN1C=C[N+](=C1)C.CS(=O)(=O)[O-]InChIKey: PUHVBRXUKOGSBC-UHFFFAOYSA-MInChI: InChI=1S/C8H15N2.CH4O3S/c1-3-4-5-10-7-6-9(2)8-10;1-5(2,3)4/h6-8H,3-5H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1Synonyms: BASIONIC® ST 78 | Basionics ST 78, 1-n-Butyl-3-methylimidazolium methanesulfonate | BMIMMeSO3 -
SB 431542Cas Number: 301836-41-9Formula: C22H16N4O3 Molecular Weight: 384.39IUPAC Name: 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamideSMILES: C1OC2=C(O1)C=C(C=C2)C3=C(NC(=N3)C4=CC=C(C=C4)C(=O)N)C5=CC=CC=N5InChIKey: FHYUGAJXYORMHI-UHFFFAOYSA-NInChI: InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)Synonyms: 4-[4-(1,3-benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl]benzamide
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methanesulfonate saltCas Number: 105737-62-0 Compound CID: 10008573Formula: C24H29F3N4O8S Molecular Weight: 590.57IUPAC Name: 2-hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide;methanesulfonic acidSMILES: CN1C=C(N=C1C2=CC=C(C=C2)OCC(CNCCOC3=CC(=C(C=C3)O)C(=O)N)O)C(F)(F)F.CS(=O)(=O)OInChIKey: VFPOVCXWKBYDNF-UHFFFAOYSA-NInChI: show more
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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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Ethyl 3-(1H-imidazol-1-yl)propanoateCas Number: 24215-02-9 Compound CID: 11845203IUPAC Name: ethyl 3-imidazol-1-ylpropanoateSMILES: CCOC(=O)CCN1C=CN=C1InChIKey: KKKUPBGJXHDOFE-UHFFFAOYSA-NInChI: InChI=1S/C8H12N2O2/c1-2-12-8(11)3-5-10-6-4-9-7-10/h4,6-7H,2-3,5H2,1H3
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6,7-Dihydro-5H-pyrrolo[1,2-a]imidazoleCas Number: 59646-16-1 Compound CID: 10441661Formula: C6H8N2 Molecular Weight: 108.14IUPAC Name: 6,7-dihydro-5H-pyrrolo[1,2-a]imidazoleSMILES: C1CC2=NC=CN2C1InChIKey: ZWETXQBHVRWLPW-UHFFFAOYSA-NInChI: InChI=1S/C6H8N2/c1-2-6-7-3-5-8(6)4-1/h3,5H,1-2,4H2
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5-Amino-4-cyano-1-methylimidazoleCas Number: 27700-58-9 Compound CID: 11051635Formula: C5H6N4 Molecular Weight: 122.13IUPAC Name: 5-amino-1-methylimidazole-4-carbonitrileSMILES: CN1C=NC(=C1N)C#NInChIKey: ASXOWXJOPXMTKT-UHFFFAOYSA-NInChI: InChI=1S/C5H6N4/c1-9-3-8-4(2-6)5(9)7/h3H,7H2,1H3
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3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzonitrileCas Number: 641571-12-2 Compound CID: 46900393IUPAC Name: 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzonitrileSMILES: CC1=CN(C=N1)C2=CC(=CC(=C2)C(F)(F)F)C#NInChIKey: PTMHYQUJHLKUCC-UHFFFAOYSA-NInChI: InChI=1S/C12H8F3N3/c1-8-6-18(7-17-8)11-3-9(5-16)2-10(4-11)12(13,14)15/h2-4,6-7H,1H3
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3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acidCas Number: 641571-13-3 Compound CID: 46900241IUPAC Name: 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoic acidSMILES: CC1=CN(C=N1)C2=CC(=CC(=C2)C(F)(F)F)C(=O)OInChIKey: ZQOCDOFDUXPNGM-UHFFFAOYSA-NInChI: InChI=1S/C12H9F3N2O2/c1-7-5-17(6-16-7)10-3-8(11(18)19)2-9(4-10)12(13,14)15/h2-6H,1H3,(H,18,19)
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3-(1H-Imidazol-2-yl)propanoic acidCas Number: 178388-79-9 Compound CID: 18320517Formula: C6H8N2O2 Molecular Weight: 140.14IUPAC Name: 3-(1H-imidazol-2-yl)propanoic acidSMILES: C1=CN=C(N1)CCC(=O)OInChIKey: LOESLMDNPQYFOG-UHFFFAOYSA-NInChI: InChI=1S/C6H8N2O2/c9-6(10)2-1-5-7-3-4-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10)Synonyms: 1H-Imidazole-2-propanoic acid | 3-(1H-Imidazol-2-yl)-propionic acid | 3-(2-imidazolyl)propionic acid
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3-(1H-Imidazol-1-yl)propanamideCas Number: 43115-74-8 Compound CID: 14088730IUPAC Name: 3-imidazol-1-ylpropanamideSMILES: C1=CN(C=N1)CCC(=O)NInChIKey: VMQUSGWKCTXCRS-UHFFFAOYSA-NInChI: InChI=1S/C6H9N3O/c7-6(10)1-3-9-4-2-8-5-9/h2,4-5H,1,3H2,(H2,7,10)
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3-(1H-Imidazol-1-yl)propan-1-olCas Number: 51390-23-9 Compound CID: 4712271Formula: C6H10N2O Molecular Weight: 126.159IUPAC Name: 3-imidazol-1-ylpropan-1-olSMILES: C1=CN(C=N1)CCCOInChIKey: RYZVYLGJZFNBND-UHFFFAOYSA-NInChI: InChI=1S/C6H10N2O/c9-5-1-3-8-4-2-7-6-8/h2,4,6,9H,1,3,5H2
