49789529 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 9 8 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 1 2 3 4 4 5 5 5 6 6 7 7 7 9 9 10 10 11 11 12 13 13 14 14 15 15 16 16 17 18 18 20 20 21 21 19 22 17 7 31 8 10 24 8 12 8 9 23 13 14 11 12 15 16 25 17 26 18 27 20 28 21 29 19 19 30 22 32 22 33 1 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 2 1 2 1 1 2 1 1 1 7 4 8 9 23 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 3.732 10.1588 2 2.866 5.5116 4.7026 3.732 4.5981 3.732 6.1808 7.1753 5.6808 2.866 4.5981 7.7631 7.582 2.866 4.5981 3.732 8.7576 8.5765 9.1643 3.732 5.6405 5.9329 2.3291 5.135 7.5109 7.2176 5.135 2.3291 9.122 8.8287 -2.8512 1.5671 -1.8512 1.6488 1.2421 2.6433 1.1488 1.6488 0.1488 1.9852 1.8807 2.8512 -0.3512 -0.3512 2.6897 0.9671 -1.3512 -1.3512 -1.8512 2.5852 0.8626 1.6716 1.7688 0.6356 3.4176 -0.0412 -0.0412 3.2561 0.4655 -1.6612 1.3388 3.0867 0.2962 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 9 9 10 11 11 13 14 15 16 17 18 20 21 8 10 8 12 4 13 14 12 15 16 17 18 20 21 19 19 22 22 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 368 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 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 00000371C07B210006000000000000000000000000016000000030600000000000000001D000001F02100800000C1EE19F2E3D9096C99200A0033667640482802DB117A009D920387E988A7EA2C19B119470086CD003D8D82790C0A00E04000000000000000800000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-chloro-3-fluoro-phenyl)-[5-(4-chlorophenyl)-1H-imidazol-2-yl]methanol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-chloro-3-fluorophenyl)-[5-(4-chlorophenyl)-1H-imidazol-2-yl]methanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-chloro-3-fluorophenyl)-[5-(4-chlorophenyl)-1<I>H</I>-imidazol-2-yl]methanol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-chloro-3-fluorophenyl)-[5-(4-chlorophenyl)-1H-imidazol-2-yl]methanol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-chloranyl-3-fluoranyl-phenyl)-[5-(4-chlorophenyl)-1H-imidazol-2-yl]methanol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-chloro-3-fluoro-phenyl)-[5-(4-chlorophenyl)-1H-imidazol-2-yl]methanol InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H11Cl2FN2O/c17-11-4-1-9(2-5-11)14-8-20-16(21-14)15(22)10-3-6-12(18)13(19)7-10/h1-8,15,22H,(H,20,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CYRZUGJLCQOJIY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 336.0232465 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H11Cl2FN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 337.2 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)F)O)Cl 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)F)O)Cl 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 2021.05.07 336.0232465 22 1 0 1 0 0 0 0 1 -1