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1 1 1 2 1 2 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 18 32 -1 1 1 2 7 19 33 -1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 8.3285 7.9939 6.721 8.8116 11.4939 9.1355 7.4939 9.8764 2.866 9.2996 6.4103 7.6995 6.4103 7.3056 9.4939 8.1126 9.9939 7.4136 8.4939 8.0046 10.9939 7.0897 11.4939 6.3907 9.9939 6.2827 10.9939 9.0275 9.4939 6.9817 12.4939 8.4365 6.9939 9.0988 5.4641 8.1046 5.4641 9.6893 4.5981 7.701 4.5981 8.7036 12.4939 9.2858 3.732 8.2916 3.732 9.4728 2 7.2657 6.795 7.9113 8.6016 5.8903 9.6839 5.7154 11.3039 9.2778 9.5948 8.7773 8.957 9.1839 10.0309 6.3653 6.9148 7.5981 12.4939 13.1139 12.4939 10.3057 4.5981 7.0847 4.5981 8.0873 8.6367 9.32 12.4939 13.1139 12.4939 8.0414 3.1951 10.04 9.2226 8.9055 2.31 1.4631 1.69 -0.6689 -0.9691 0.7862 -4.2419 -3.5672 -1.2594 -0.1031 4.3211 -1.9691 0.8186 -1.7738 0.9924 -0.1644 -2.0666 -1.8351 -2.6572 -2.7011 -1.0724 -1.8351 -3.6513 -2.7011 -4.0549 -1.8351 -2.4702 -0.9691 -3.4643 -0.9691 -2.2536 -3.5672 -5.049 -1.8351 0.3253 -0.9691 1.7922 -1.4691 1.9002 -0.4691 2.5992 -1.9691 2.8151 0.0309 -5.236 -3.5672 3.5141 -1.4691 3.6221 -0.4691 5.236 -1.4691 -0.4703 -1.1135 -2.0472 -2.4457 -2.104 -0.4322 -3.7145 -0.4322 -2.8209 -2.0034 -1.6863 -3.2572 -4.1041 -3.8772 -4.9821 -5.6654 -5.116 -2.4551 -1.8351 -1.2151 2.5322 -2.5891 2.8821 0.6509 -5.1691 -5.8524 -5.303 -4.1872 -3.5672 -2.9472 4.1894 -0.1591 5.4863 5.8033 4.9858 -0.9322 -1.1591 -2.006 5 5 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 2 10 10 11 11 12 12 13 13 14 14 15 15 16 17 20 21 22 23 24 25 34 34 35 35 36 37 38 39 40 41 44 45 18 19 32 34 33 35 32 36 33 37 16 24 17 25 20 21 22 23 26 27 26 27 36 38 37 39 40 41 44 45 46 47 46 47 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 450 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 12 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 10 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371F07FB800600020000000000000000000000162C000003060C180000000005801FE00001E04000000000C0C85DE02B3D6B608140AA00324626440CAD82D6132B0099820367C988C6EA2E4B99B9430286EC01B48E827B0D0F30EC0400302001800208080060400300040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 magnesium;5-methoxy-2-[(S)-(3-methoxy-2,4-dimethyl-phenyl)methylsulfinyl]benzimidazol-1-ide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 magnesium;5-methoxy-2-[(S)-(3-methoxy-2,4-dimethylphenyl)methylsulfinyl]benzimidazol-1-ide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 magnesium;5-methoxy-2-[(<I>S</I>)-(3-methoxy-2,4-dimethylphenyl)methylsulfinyl]benzimidazol-1-ide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 magnesium;5-methoxy-2-[(S)-(3-methoxy-2,4-dimethylphenyl)methylsulfinyl]benzimidazol-1-ide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 magnesium;5-methoxy-2-[(S)-(3-methoxy-2,4-dimethyl-phenyl)methylsulfinyl]benzimidazol-1-ide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 magnesium;5-methoxy-2-[(S)-(3-methoxy-2,4-dimethyl-benzyl)sulfinyl]benzimidazol-1-ide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/2C18H19N2O3S.Mg/c2*1-11-5-6-13(12(2)17(11)23-4)10-24(21)18-19-15-8-7-14(22-3)9-16(15)20-18;/h2*5-9H,10H2,1-4H3;/q2*-1;+2/t2*24-;/m00./s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ULXLORAXPHPDMW-YPPDDXJESA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 710.2083190 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C36H38MgN4O6S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 711.1 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C(=C(C=C1)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC)C)OC.CC1=C(C(=C(C=C1)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC)C)OC.[Mg+2] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C(=C(C=C1)C[S@](=O)C2=NC3=C([N-]2)C=CC(=C3)OC)C)OC.CC1=C(C(=C(C=C1)C[S@](=O)C2=NC3=C([N-]2)C=CC(=C3)OC)C)OC.[Mg+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 137 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 710.2083190 49 2 2 0 0 0 0 0 3 -1