49792093 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 17 17 9 9 9 8 7 7 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 2 3 4 5 6 6 7 7 7 8 8 9 9 9 11 11 12 12 13 13 14 15 15 16 16 17 17 18 18 19 19 19 20 21 22 23 23 22 24 25 25 25 9 35 10 11 27 10 14 10 12 26 13 14 17 18 15 16 28 20 29 21 30 22 31 23 32 20 21 25 33 34 24 24 36 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 1 1 9 6 10 12 26 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 4.4499 2.4608 3 2 4 5.0823 3.809 2.5 4.0878 3.5 3 3.681 3 2.191 3.866 2.134 4.2688 2.6865 3 3.866 2.134 3.8621 2.2798 2.8676 3 4.34 4.3987 1.6013 4.403 1.597 4.8854 2.3221 4.403 1.597 5.4467 1.6632 5.292 5.501 -5.501 -4.501 -4.501 1.7423 0.0868 1.0378 1.8468 1.0378 -0.501 2.7604 -1.501 0.0868 -2.001 -2.001 3.5694 2.8649 -3.501 -3.001 -3.001 4.483 3.7785 4.5875 -4.501 1.2804 -0.1048 -0.1048 -1.691 -1.691 3.5046 2.3633 -3.311 -3.311 2.2439 3.8433 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 9 11 12 12 13 13 15 16 17 18 19 19 22 23 10 11 10 14 6 14 17 18 15 16 20 21 22 23 20 21 24 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 446 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B218006000000000000000000000000016000000030600000000000000001D000001F02100800000C1EE19F363D9096C99200A0033667640482802DB117A009DB60387E988A7EA2C19B119470086CD003D8D82790C0E00E44000020000000048800004000000008000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,4-dichlorophenyl)-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,4-dichlorophenyl)-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,4-dichlorophenyl)-[5-[4-(trifluoromethyl)phenyl]-1<I>H</I>-imidazol-2-yl]methanol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,4-dichlorophenyl)-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,4-dichlorophenyl)-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,4-dichlorophenyl)-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H11Cl2F3N2O/c18-12-6-3-10(7-13(12)19)15(25)16-23-8-14(24-16)9-1-4-11(5-2-9)17(20,21)22/h1-8,15,25H,(H,23,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HXZQADNMZIZIRI-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 2021.05.07 386.0200529 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H11Cl2F3N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 387.2 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=CC=C1C2=CN=C(N2)C(C3=CC(=C(C=C3)Cl)Cl)O)C(F)(F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=CC=C1C2=CN=C(N2)C(C3=CC(=C(C=C3)Cl)Cl)O)C(F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 48.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 386.0200529 25 1 0 1 0 0 0 0 1 -1