37175 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 17 17 8 7 7 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 2 3 3 4 4 4 5 5 6 6 6 7 7 8 8 9 10 10 11 11 12 13 13 13 14 14 15 15 17 18 18 19 19 9 16 6 13 7 11 12 12 17 7 8 20 21 22 9 10 14 15 23 17 24 25 18 26 27 16 28 16 29 30 19 31 32 33 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 6 3 7 8 20 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 2 3.732 2.866 4.5981 4.0981 3.732 4.5981 3.732 2.866 4.5981 5.4071 3.7891 2.866 2.866 4.5981 3.732 5.0981 2 2 3.732 4.8101 5.2087 5.135 5.9967 3.1994 3.4766 3.0781 2.3291 5.135 5.4625 1.4631 2.5369 1.4631 -0.5194 -3.5194 0.9806 1.9806 3.5194 0.4806 0.9806 -0.5194 -1.0194 -1.0194 2.5684 2.5684 1.9806 -2.0194 -2.0194 -2.5194 3.5194 2.4806 3.4806 1.1006 0.398 1.0882 -0.7094 2.3768 2.3768 1.8729 2.5632 -2.3294 -2.3294 4.021 2.1706 3.7906 3.7906 8 8 8 8 3 8 8 8 8 8 8 8 4 4 5 5 6 8 8 9 10 11 14 15 11 12 12 17 7 9 10 14 15 17 16 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 291 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C073200006000000000000000000000000016000000030000000000000000001C000001E02000000000C16E19A263D90970C1400A0023067640002802D3117A009C800183A888A6E2281BB199730002CC00398A82790C0A00E04000000008100000800000001020000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2-allyloxy-2-(2,4-dichlorophenyl)ethyl]imidazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxy-ethyl]imidazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2-allyloxy-2-(2,4-dichlorophenyl)ethyl]imidazole InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PZBPKYOVPCNPJY-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 296.0483185 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H14Cl2N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 297.2 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 27 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 296.0483185 19 1 0 1 0 0 0 0 1 -1