66485719 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 17 17 8 7 7 6 6 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 1 1 1 1 1 1 2 3 3 4 4 4 5 5 6 6 6 8 8 9 9 10 10 11 12 12 13 13 14 14 14 15 15 16 16 17 17 18 18 20 20 20 21 21 22 22 19 23 6 14 7 9 25 7 11 7 8 24 12 13 10 11 17 18 26 15 27 16 28 20 29 30 19 31 19 32 21 33 22 34 35 36 37 23 38 23 39 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 6 3 7 8 24 3 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 4.5981 8.1737 3.732 5.5686 6.3776 4.5981 5.4641 4.5981 6.5468 6.9535 7.0468 5.4641 3.732 2.866 5.4641 3.732 6.3657 7.948 4.5981 2 6.7725 8.3548 7.767 4.5981 5.1079 7.6634 6.001 3.1951 2.4675 3.2646 6.001 3.1951 5.7491 8.3125 2.31 1.4631 1.69 6.408 8.9714 -4.6783 4.6783 -0.1783 0.8162 -0.585 -0.6783 -0.1783 -1.6783 1.0241 1.9377 0.1581 -2.1783 -2.1783 -0.6783 -3.1783 -3.1783 2.7467 2.0422 -3.6783 -0.1783 3.6602 2.9558 3.7648 -0.0583 1.2311 0.0933 -1.8683 -1.8683 -1.1533 -1.1533 -3.4883 -3.4883 2.6819 1.5406 0.3586 0.1317 -0.7152 4.1618 3.0206 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 8 8 9 10 10 12 13 15 16 17 18 21 22 7 9 7 11 3 12 13 11 17 18 15 16 19 19 21 22 23 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 355 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B200006000000000000000000000000016000000030600000000000000001D000001E02100000000C1EE19F263F9096C99400A0033667640482802DB117A009D920387E988A6EA2C1BB199730086CD003D8E82790C0A00E04000000000000000800000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(4-chlorophenyl)-2-[(4-chlorophenyl)-ethoxy-methyl]-1H-imidazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(4-chlorophenyl)-2-[(4-chlorophenyl)-ethoxymethyl]-1H-imidazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(4-chlorophenyl)-2-[(4-chlorophenyl)-ethoxymethyl]-1<I>H</I>-imidazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(4-chlorophenyl)-2-[(4-chlorophenyl)-ethoxymethyl]-1H-imidazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(4-chlorophenyl)-2-[(4-chlorophenyl)-ethoxy-methyl]-1H-imidazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(4-chlorophenyl)-2-[(4-chlorophenyl)-ethoxy-methyl]-1H-imidazole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H16Cl2N2O/c1-2-23-17(13-5-9-15(20)10-6-13)18-21-11-16(22-18)12-3-7-14(19)8-4-12/h3-11,17H,2H2,1H3,(H,21,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ORVOFCCFHPJZCS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.0639685 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H16Cl2N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 347.2 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC(C1=CC=C(C=C1)Cl)C2=NC=C(N2)C3=CC=C(C=C3)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC(C1=CC=C(C=C1)Cl)C2=NC=C(N2)C3=CC=C(C=C3)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 37.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.0639685 23 1 0 1 0 0 0 0 1 -1