3334605 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 16 9 8 8 7 7 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 2 3 3 4 5 5 5 6 6 7 7 7 8 8 10 11 11 11 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 9 11 21 12 20 10 7 9 10 8 9 8 22 23 24 25 12 13 26 27 16 14 15 17 28 18 29 19 30 21 31 21 32 20 33 34 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 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 3.732 2.866 6.1307 5.7 4.5411 2.923 4.232 3.232 3.732 5.4921 2.866 6.2353 2.866 2 3.732 7.2134 2 3.732 7.7134 7.0443 2.866 4.8385 4.1672 3.2969 2.6256 2.654 2.2554 1.4631 4.269 7.4656 1.4631 4.269 8.33 7.1732 0.5754 -3.9246 3.5178 0.876 2.1632 2.1632 3.1143 3.1143 1.5754 1.8542 0.0754 2.5233 -0.9246 -1.4246 -1.4246 2.3154 -2.4246 -2.4246 3.1814 3.9246 -2.9246 3.2432 3.7309 3.7309 3.2432 0.658 -0.0322 -1.1146 -1.1146 1.749 -2.7346 -2.7346 3.2462 4.531 8 8 8 8 8 8 8 8 8 8 8 3 3 12 13 13 14 15 16 17 18 19 12 20 16 14 15 17 18 19 21 21 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 411 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C073310040000000000000000000000000012200000030000000000000000001C000001F04000000000C04E5D80EB10483000448A802A952B402821801642010098801CE0CC80E6632A4BD3F973928E4C61198A9879897020E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-furyl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-[(4-fluorophenyl)methylthio]-4,5-dihydroimidazol-1-yl]-(2-furanyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-[(4-fluorobenzyl)thio]-2-imidazolin-1-yl]-(2-furyl)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H13FN2O2S/c16-12-5-3-11(4-6-12)10-21-15-17-7-8-18(15)14(19)13-2-1-9-20-13/h1-6,9H,7-8,10H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MDOIIYGQVCFJMK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 304.06817700 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H13FN2O2S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 304.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN(C(=N1)SCC2=CC=C(C=C2)F)C(=O)C3=CC=CO3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN(C(=N1)SCC2=CC=C(C=C2)F)C(=O)C3=CC=CO3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 71.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 304.06817700 21 0 0 0 0 0 0 0 1 -1