49792242 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 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 1 2 2 3 3 3 4 4 5 5 5 6 6 7 7 9 9 10 10 11 11 12 12 12 13 13 14 15 15 16 17 17 17 18 19 19 20 20 21 21 22 18 5 35 8 11 25 8 16 6 8 23 7 10 9 12 13 17 14 24 15 16 26 27 28 14 29 30 18 19 31 32 33 34 20 21 36 22 37 22 38 39 1 1 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 5 2 6 8 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 34 35 36 37 38 39 6.9942 2.866 5.5116 4.7026 3.732 3.732 2.866 4.5981 2.866 4.5981 6.1808 2 3.732 4.5981 7.1753 5.6808 2 7.582 7.7631 8.5765 8.7576 9.1643 3.732 5.135 5.6405 2.31 1.4631 1.69 3.732 5.135 5.9329 1.69 1.4631 2.31 2.866 7.5109 8.8287 9.122 9.7809 -0.3419 1.1488 0.742 2.1433 0.6488 -0.3512 -0.8512 1.1488 -1.8512 -0.8512 1.4852 -0.3512 -2.3512 -1.8512 1.3807 2.3512 -2.3512 0.4671 2.1897 0.3626 2.0852 1.1716 1.2688 -0.5412 0.1356 0.1857 -0.0412 -0.8882 -2.9712 -2.1612 2.9176 -1.8143 -2.6612 -2.8882 1.7688 2.7561 -0.2038 2.5867 1.1068 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 6 6 7 9 10 11 13 15 15 18 19 20 21 8 11 8 16 2 7 10 9 13 14 16 14 18 19 20 21 22 22 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 367 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 00000371E07B200004000000000000000000000000016000000030600000000000000001D000001E02100800000C1EE19F263F9096C99200A0033667640482802DB117A009D920387E988A7EA2C19B119470086CD003D8D82790C0E00E80000200001100000000040000220000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-(2-chlorophenyl)-1H-imidazol-2-yl]-(2,3-dimethylphenyl)methanol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-(2-chlorophenyl)-1H-imidazol-2-yl]-(2,3-dimethylphenyl)methanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-(2-chlorophenyl)-1<I>H</I>-imidazol-2-yl]-(2,3-dimethylphenyl)methanol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-(2-chlorophenyl)-1H-imidazol-2-yl]-(2,3-dimethylphenyl)methanol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-(2-chlorophenyl)-1H-imidazol-2-yl]-(2,3-dimethylphenyl)methanol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-(2-chlorophenyl)-1H-imidazol-2-yl]-(2,3-dimethylphenyl)methanol InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H17ClN2O/c1-11-6-5-8-13(12(11)2)17(22)18-20-10-16(21-18)14-7-3-4-9-15(14)19/h3-10,17,22H,1-2H3,(H,20,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PXQQARHTWKEICB-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 2021.05.07 312.1029409 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H17ClN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 312.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C(=CC=C1)C(C2=NC=C(N2)C3=CC=CC=C3Cl)O)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C(=CC=C1)C(C2=NC=C(N2)C3=CC=CC=C3Cl)O)C 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 2021.05.07 312.1029409 22 1 0 1 0 0 0 0 1 -1