49795561 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 9 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 8 8 9 9 10 10 11 11 12 12 13 14 14 15 16 16 16 17 17 17 18 18 19 19 20 21 21 22 20 5 35 7 10 26 7 15 6 7 23 8 9 11 24 12 25 14 15 13 16 13 17 27 18 19 28 29 30 31 32 33 34 20 36 21 37 22 22 38 39 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 5 2 6 7 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 8.9833 2.866 5.5116 4.7026 3.732 3.732 4.5981 2.866 4.5981 6.1808 2.866 4.5981 3.732 7.1753 5.6808 2 5.4641 7.582 7.7631 8.5765 8.7576 9.1643 3.732 2.3291 5.135 5.6405 3.732 5.9329 1.69 1.4631 2.31 5.1541 6.001 5.7741 2.3291 7.2176 7.5109 9.122 9.7809 -0.551 1.1488 0.742 2.1433 0.6488 -0.3512 1.1488 -0.8512 -0.8512 1.4852 -1.8512 -1.8512 -2.3512 1.3807 2.3512 -2.3512 -2.3512 0.4671 2.1897 0.3626 2.0852 1.1716 1.2688 -0.5412 -0.5412 0.1356 -2.9712 2.9176 -1.8143 -2.6612 -2.8882 -2.8882 -2.6612 -1.8143 0.8388 -0.0345 2.7561 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 8 9 10 11 12 14 14 18 19 20 21 7 10 7 15 2 8 9 11 12 15 13 13 18 19 20 21 22 22 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 357 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 00000371E07B210000000000000000000000000000016000000030600000000000000001D000001F00100800000C1CE19F0E3F9096C99200A0033667640482802DB112A009D920387C988A7EA2C099119470086CD003D8D82790C0E00E00000200000000000000040000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,5-dimethylphenyl)-[5-(3-fluorophenyl)-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-(3-fluorophenyl)-1H-imidazol-2-yl]methanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,5-dimethylphenyl)-[5-(3-fluorophenyl)-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-(3-fluorophenyl)-1H-imidazol-2-yl]methanol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,5-dimethylphenyl)-[5-(3-fluorophenyl)-1H-imidazol-2-yl]methanol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,5-dimethylphenyl)-[5-(3-fluorophenyl)-1H-imidazol-2-yl]methanol InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H17FN2O/c1-11-6-12(2)8-14(7-11)17(22)18-20-10-16(21-18)13-4-3-5-15(19)9-13/h3-10,17,22H,1-2H3,(H,20,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZMAGHFCPNCXQEW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 296.13249133 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H17FN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 296.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=CC(=C1)C(C2=NC=C(N2)C3=CC(=CC=C3)F)O)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=CC(=C1)C(C2=NC=C(N2)C3=CC(=CC=C3)F)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 2021.05.07 296.13249133 22 1 0 1 0 0 0 0 1 -1