1116759 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 17 17 16 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 5 5 5 6 6 7 7 8 9 9 10 11 12 12 13 13 14 14 15 15 16 17 17 17 20 21 21 22 22 23 23 20 24 12 19 18 19 9 10 25 10 11 8 18 19 11 13 12 14 26 27 15 28 16 29 16 30 31 18 20 21 22 23 32 24 33 24 34 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 2 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 2 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 11.1278 12.5368 6.7619 8.3497 4.6783 4.6783 9.3007 8.3497 3.732 5.2619 3.732 6.2619 2.866 2.866 2 2 10.1097 9.3007 7.7619 11.0233 10.0052 11.8323 10.8142 11.7278 4.8709 6.8445 6.1542 2.866 2.866 1.4631 1.4631 9.4388 12.3987 10.7494 -1.3345 1.8301 -1.0211 -0.212 0.6497 -0.9598 -1.5211 -1.8301 0.345 -0.155 -0.655 -0.155 0.845 -1.155 0.345 -0.655 0.0667 -0.5211 -1.0211 -0.34 1.0612 0.2478 1.649 1.2423 1.239 0.057 0.4555 1.465 -1.775 0.655 -0.965 1.3134 -0.0044 2.2656 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 7 7 8 9 9 11 13 14 15 17 17 20 21 22 23 18 19 9 10 10 11 8 18 19 11 13 14 15 16 16 20 21 22 23 24 24 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 435 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07BA000460000000000000000000000000162C0000030600000000000005801FC00001E06180000000C0A85DF20B1D0B6C99448AA032772740092802DED17B01B9921307ED8886EB2C1BF999C31086CD803C8EDA798C8208E04000000008100200800000001020040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(1H-benzimidazol-2-ylmethylthio)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(1<I>H</I>-benzimidazol-2-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(1H-benzimidazol-2-ylmethylthio)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H10Cl2N4OS/c17-9-5-6-10(11(18)7-9)15-21-22-16(23-15)24-8-14-19-12-3-1-2-4-13(12)20-14/h1-7H,8H2,(H,19,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QEUPBOMAOJHTEO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 375.9952375 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H10Cl2N4OS Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 377.2 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(O3)C4=C(C=C(C=C4)Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(O3)C4=C(C=C(C=C4)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 92.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 375.9952375 24 0 0 0 0 0 0 0 1 -1