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Substituted imidazoles
Description:
Heterocyclic compounds containing an imidazole ring substituted at one or more positions.
Ancestors:
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1,5-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) -
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)
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Imidazo[1，2-b]pyridazine-3-carboxylic acidCas Number: 1308384-58-8 Compound CID: 22024514Formula: C7H5N3O2 Molecular Weight: 163.13SMILES: C1=CC2=NC=C(N2N=C1)C(=O)OInChIKey: SGRMUAZFOWNSGE-UHFFFAOYSA-NInChI: InChI=1S/C7H5N3O2/c11-7(12)5-4-8-6-2-1-3-9-10(5)6/h1-4H,(H,11,12)
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Ethyl 4-(1-Imidazolyl)benzoateCas Number: 86718-07-2 Compound CID: 13423940Formula: C12H12N2O2 Molecular Weight: 216.24IUPAC Name: ethyl 4-imidazol-1-ylbenzoateSMILES: CCOC(=O)C1=CC=C(C=C1)N2C=CN=C2InChIKey: JXZSKUXJSZZMON-UHFFFAOYSA-NInChI: InChI=1S/C12H12N2O2/c1-2-16-12(15)10-3-5-11(6-4-10)14-8-7-13-9-14/h3-9H,2H2,1H3
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Ethyl 4-((tert-butoxycarbonyl)amino)-1-methyl-1H-imidazole-2-carboxylateCas Number: 128293-63-0 Compound CID: 14488320Formula: C12H19N3O4 Molecular Weight: 269.3IUPAC Name: ethyl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylateSMILES: CCOC(=O)C1=NC(=CN1C)NC(=O)OC(C)(C)CInChIKey: VKDFVUFMCCONBE-UHFFFAOYSA-NInChI: InChI=1S/C12H19N3O4/c1-6-18-10(16)9-13-8(7-15(9)5)14-11(17)19-12(2,3)4/h7H,6H2,1-5H3,(H,14,17)
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Ethyl 1，4-dimethyl-1H-imidazole-5-carboxylateCas Number: 35445-32-0 Compound CID: 12685481Formula: C8H12N2O2 Molecular Weight: 168.2IUPAC Name: ethyl 3,5-dimethylimidazole-4-carboxylateSMILES: CCOC(=O)C1=C(N=CN1C)CInChIKey: KJDJAZWOHDBZSZ-UHFFFAOYSA-NInChI: InChI=1S/C8H12N2O2/c1-4-12-8(11)7-6(2)9-5-10(7)3/h5H,4H2,1-3H3
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Ethyl 1-amino-1H-imidazole-5-carboxylateCas Number: 1179361-84-2 Compound CID: 46839655Formula: C6H9N3O2 Molecular Weight: 155.15IUPAC Name: ethyl 3-aminoimidazole-4-carboxylateSMILES: CCOC(=O)C1=CN=CN1NInChIKey: LERIOFHGELUHFG-UHFFFAOYSA-NInChI: InChI=1S/C6H9N3O2/c1-2-11-6(10)5-3-8-4-9(5)7/h3-4H,2,7H2,1H3
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Ethyl 1-Methylimidazole-5-carboxylateCas Number: 66787-70-0 Compound CID: 18914307Formula: C7H10N2O2 Molecular Weight: 154.17IUPAC Name: ethyl 3-methylimidazole-4-carboxylateSMILES: CCOC(=O)C1=CN=CN1CInChIKey: AIPYAGWNEMVIJQ-UHFFFAOYSA-NInChI: InChI=1S/C7H10N2O2/c1-3-11-7(10)6-4-8-5-9(6)2/h4-5H,3H2,1-2H3
