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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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9-bromo-2，3-diiodo-5，6-dihydrobenzo[f]imidazo[1，2-d][1，4]oxazepineCas Number: 1282516-68-0Formula: C11H7BrI2N2O Molecular Weight: 516.90SMILES: C1COC2=C(C=CC(=C2)Br)C3=NC(=C(N31)I)IInChIKey: BOLGNRXJXPPVJO-UHFFFAOYSA-NInChI: InChI=1S/C11H7BrI2N2O/c12-6-1-2-7-8(5-6)17-4-3-16-10(14)9(13)15-11(7)16/h1-2,5H,3-4H2 -
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)
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2-Methyl-1H-imidazole-5-sulfonyl chlorideCas Number: 205311-54-2 Compound CID: 10583549Formula: C4H5ClN2O2S Molecular Weight: 180.61IUPAC Name: 2-methyl-1H-imidazole-5-sulfonyl chlorideSMILES: CC1=NC=C(N1)S(=O)(=O)ClInChIKey: QZSIDBSNCFPOCI-UHFFFAOYSA-NInChI: InChI=1S/C4H5ClN2O2S/c1-3-6-2-4(7-3)10(5,8)9/h2H,1H3,(H,6,7)
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2-Mercapto-1-methyl-1H-imidazole-5-carboxylic acidCas Number: 64038-57-9Formula: C5H6N2O2S Molecular Weight: 158.18SMILES: CN1C(=CNC1=S)C(=O)OInChIKey: LFWHYTJUOBEPMU-UHFFFAOYSA-NInChI: InChI=1S/C5H6N2O2S/c1-7-3(4(8)9)2-6-5(7)10/h2H,1H3,(H,6,10)(H,8,9)
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1，3-Didodecyl-2-methyl-1H-imidazol-3-ium chlorideCas Number: 21054-71-7Formula: C28H55ClN2 Molecular Weight: 455.20IUPAC Name: 1,3-didodecyl-2-methylimidazol-1-ium;chlorideSMILES: CCCCCCCCCCCCN1C=C[N+](=C1C)CCCCCCCCCCCC.[Cl-]InChIKey: ONVPFSYQVOTHPK-UHFFFAOYSA-MInChI: InChI=1S/C28H55N2.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-29-26-27-30(28(29)3)25-23-21-19-17-15-13-11-9-7-5-2;/h26-27H,4-25H2,1-3H3;1H/q+1;/p-1
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1，3-bis(1H-imidazol-1-yl)benzeneCas Number: 69506-91-8 Compound CID: 11333294Formula: C12H10N4 Molecular Weight: 210.23IUPAC Name: 1-(3-imidazol-1-ylphenyl)imidazoleSMILES: C1=CC(=CC(=C1)N2C=CN=C2)N3C=CN=C3InChIKey: GDWGYEKGZJOUHE-UHFFFAOYSA-NInChI: InChI=1S/C12H10N4/c1-2-11(15-6-4-13-9-15)8-12(3-1)16-7-5-14-10-16/h1-10H
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1-Butyl-3-Methyl-1H-Imidazol-3-Ium PerchlorateCas Number: 220956-35-4 Compound CID: 71463766Formula: C8H15ClN2O4 Molecular Weight: 238.67IUPAC Name: 1-butyl-3-methylimidazol-3-ium;perchlorateSMILES: CCCCN1C=C[N+](=C1)C.[O-]Cl(=O)(=O)=OInChIKey: OPGGSNAFGYWGCT-UHFFFAOYSA-MInChI: InChI=1S/C8H15N2.ClHO4/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5/h6-8H,3-5H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
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1-Methyl-1H-imidazol-3-ium tetrafluoroborateCas Number: 151200-14-5 Compound CID: 11788523Formula: C4H7BF4N2 Molecular Weight: 169.92IUPAC Name: 3-methyl-1H-imidazol-3-ium;tetrafluoroborateSMILES: [B-](F)(F)(F)F.C[N+]1=CNC=C1InChIKey: ULUZIIYGBKXRGN-UHFFFAOYSA-OInChI: InChI=1S/C4H6N2.BF4/c1-6-3-2-5-4-6;2-1(3,4)5/h2-4H,1H3;/q;-1/p+1
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1-Isopropyl-2-methylimidazoleCas Number: 84606-45-1Formula: C7H12N2 Molecular Weight: 124.18568SMILES: CC1=NC=CN1C(C)CInChIKey: GDRRCHJTUJBMQA-UHFFFAOYSA-NInChI: InChI=1S/C7H12N2/c1-6(2)9-5-4-8-7(9)3/h4-6H,1-3H3
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1-Benzyl-3-MethylImidazoliumCas Number: 65039-11-4 Compound CID: 12392668Formula: C11H13BrN2 Molecular Weight: 253.14IUPAC Name: 1-benzyl-3-methylimidazol-3-ium;bromideSMILES: C[N+]1=CN(C=C1)CC2=CC=CC=C2.[Br-]InChIKey: VBLZTUCAWYJIMG-UHFFFAOYSA-MInChI: InChI=1S/C11H13N2.BrH/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;/h2-8,10H,9H2,1H3;1H/q+1;/p-1
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1-Mesityl-1H-imidazoleCas Number: 25364-44-7 Compound CID: 9815460Formula: C12H14N2 Molecular Weight: 186.25IUPAC Name: 1-(2,4,6-trimethylphenyl)imidazoleSMILES: CC1=CC(=C(C(=C1)C)N2C=CN=C2)CInChIKey: XEFLCLZQKDDENB-UHFFFAOYSA-NInChI: InChI=1S/C12H14N2/c1-9-6-10(2)12(11(3)7-9)14-5-4-13-8-14/h4-8H,1-3H3
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Ethyl 3-(1H-imidazol-2-yl)propanoateCas Number: 172499-76-2 Compound CID: 22259341Formula: C8H12N2O2 Molecular Weight: 168.19IUPAC Name: ethyl 3-(1H-imidazol-2-yl)propanoateSMILES: CCOC(=O)CCC1=NC=CN1InChIKey: KQIXNQRMDCPWIH-UHFFFAOYSA-NInChI: InChI=1S/C8H12N2O2/c1-2-12-8(11)4-3-7-9-5-6-10-7/h5-6H,2-4H2,1H3,(H,9,10)
