49792449 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 40 41 42 8 7 7 6 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 1 1 1 1 2 2 2 3 3 4 4 4 5 5 7 7 8 8 9 9 10 10 11 11 12 12 13 14 15 15 16 16 17 17 17 18 18 18 19 19 19 20 21 22 22 22 4 37 6 7 24 6 14 5 6 23 8 9 12 14 10 25 11 26 13 17 13 18 15 16 27 28 20 29 21 30 31 32 33 34 35 36 20 21 22 38 39 40 41 42 1 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 2 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 4 1 5 6 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 40 41 42 2.866 5.5116 4.7026 3.732 3.732 4.5981 6.1808 2.866 4.5981 2.866 4.5981 7.1753 3.732 5.6808 7.7631 7.582 2 5.4641 9.1643 8.7576 8.5765 10.1588 3.732 5.6405 2.3291 5.135 3.732 5.9329 7.5109 7.2176 1.69 1.4631 2.31 5.1541 6.001 5.7741 2.3291 9.122 8.8287 10.094 10.7754 10.2236 1.1488 0.742 2.1433 0.6488 -0.3512 1.1488 1.4852 -0.8512 -0.8512 -1.8512 -1.8512 1.3807 -2.3512 2.3512 2.1897 0.4671 -2.3512 -2.3512 1.1716 2.0852 0.3626 1.0671 1.2688 0.1356 -0.5412 -0.5412 -2.9712 2.9176 2.7561 -0.0345 -1.8143 -2.6612 -2.8882 -2.8882 -2.6612 -1.8143 0.8388 2.5867 -0.2038 0.4505 1.0023 1.6837 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 5 5 7 8 9 10 11 12 12 15 16 19 19 6 7 6 14 1 8 9 14 10 11 13 13 15 16 20 21 20 21 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 343 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 00000371E07B200000000000000000000000000000016000000030600000000000000001D000001E00100800000C1CE19F063F9096C99200A0033667640482802DB112A009D920387C988A7EA2C099119470086CD003D8D82790C0E00E40000200000000008000040000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,5-dimethylphenyl)-[5-(p-tolyl)-1H-imidazol-2-yl]methanol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,5-dimethylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,5-dimethylphenyl)-[5-(4-methylphenyl)-1<I>H</I>-imidazol-2-yl]methanol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,5-dimethylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,5-dimethylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,5-dimethylphenyl)-[5-(p-tolyl)-1H-imidazol-2-yl]methanol InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H20N2O/c1-12-4-6-15(7-5-12)17-11-20-19(21-17)18(22)16-9-13(2)8-14(3)10-16/h4-11,18,22H,1-3H3,(H,20,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 JUIKVGJBEZPOGR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 292.157563266 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H20N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 292.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(C=C1)C2=CN=C(N2)C(C3=CC(=CC(=C3)C)C)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(C=C1)C2=CN=C(N2)C(C3=CC(=CC(=C3)C)C)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 2021.05.07 292.157563266 22 1 0 1 0 0 0 0 1 -1