49795338 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 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 1 1 1 1 2 2 3 3 3 4 4 5 5 5 7 7 8 8 9 9 10 10 11 12 12 13 13 14 14 15 15 16 16 16 17 17 18 19 19 20 20 21 5 34 6 7 23 6 11 6 9 22 8 11 10 12 13 14 15 16 24 17 25 19 26 20 27 18 28 29 30 31 18 32 33 21 35 21 36 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 1 1 5 2 6 9 22 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 3.1929 5.8144 4.5411 3.232 4.8198 4.232 3.732 3.732 4.4131 2.866 2.923 4.5981 5.0009 3.4186 2.866 2 4.5981 3.732 4.5942 3.0118 3.5996 5.1843 5.1307 2.3334 5.135 5.6175 3.0542 2.3291 2.31 1.4631 1.69 5.135 3.732 6.1788 4.9586 2.3952 4.501 0.7423 -0.9132 0.0378 0.8468 0.0378 -1.501 -2.501 1.7604 -3.001 -0.9132 -3.001 2.5694 1.8649 -4.001 -2.501 -4.001 -4.501 3.483 2.7785 3.5875 1.3484 -1.1048 -1.1048 -2.691 2.5046 1.3633 -4.311 -1.9641 -2.191 -3.038 -4.311 -5.121 1.2439 3.9845 2.8433 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 7 8 8 9 9 10 12 13 14 15 17 19 20 6 7 6 11 2 11 10 12 13 14 15 17 19 20 18 18 21 21 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 333 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 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 00000371C07B200004000000000000000000000000016000000030600000000000000001D000001E02100800000C1EE19F263F9096C99200A0033667640482802DB117A009D920387E988A7EA2C19B119470086CD003D8D82790C0A00E84000000001000000800000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-chlorophenyl)-[5-(o-tolyl)-1H-imidazol-2-yl]methanol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-chlorophenyl)-[5-(2-methylphenyl)-1H-imidazol-2-yl]methanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-chlorophenyl)-[5-(2-methylphenyl)-1<I>H</I>-imidazol-2-yl]methanol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-chlorophenyl)-[5-(2-methylphenyl)-1H-imidazol-2-yl]methanol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-chlorophenyl)-[5-(2-methylphenyl)-1H-imidazol-2-yl]methanol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-chlorophenyl)-[5-(o-tolyl)-1H-imidazol-2-yl]methanol InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H15ClN2O/c1-11-4-2-3-5-14(11)15-10-19-17(20-15)16(21)12-6-8-13(18)9-7-12/h2-10,16,21H,1H3,(H,19,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RERSXDFNKOXDRA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 298.0872908 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H15ClN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 298.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=CC=C1C2=CN=C(N2)C(C3=CC=C(C=C3)Cl)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=CC=C1C2=CN=C(N2)C(C3=CC=C(C=C3)Cl)O 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 2021.05.07 298.0872908 21 1 0 1 0 0 0 0 1 -1