3540819 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 17 8 8 8 8 7 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 1 2 3 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 11 11 12 12 12 14 14 14 15 16 16 18 18 19 19 20 21 21 21 22 23 23 24 24 25 15 10 13 17 22 25 9 13 26 10 13 14 17 21 36 10 11 12 15 16 27 28 29 17 30 31 18 19 32 20 33 20 34 35 22 37 38 23 24 39 25 40 41 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 2 1 1 2 1 1 9 6 10 11 12 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 2 2.472 5.9921 5.9641 5.1551 4.732 4.232 5.0981 3.732 3.423 3.732 2.781 5.0411 4.232 2.866 4.5981 5.0981 2.866 4.5981 3.732 5.9641 5.9641 6.7731 6.4641 5.4641 5.0965 2.5894 2.1913 2.9726 4.02 3.6215 5.135 2.3291 5.135 3.732 4.5611 6.1762 6.5747 7.3628 6.8285 5.0997 -3.0388 -0.7788 -0.7788 0.5 4.0878 -2.0388 -0.5 2 -2.0388 -1.0878 -3.0388 -2.3479 -1.0878 0.5 -3.5388 -3.5388 1 -4.5388 -4.5388 -5.0388 2.5 3.5 4.0878 5.0388 5.0388 -2.5404 -1.7582 -2.5394 -2.9375 1.0826 0.3923 -3.2288 -4.8488 -4.8488 -5.6588 2.31 1.9174 2.6077 3.8962 5.5404 5.5404 8 8 3 8 8 8 8 8 8 8 8 8 5 5 9 11 11 15 16 18 19 22 23 24 22 25 12 15 16 18 19 20 20 23 24 25 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 558 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E07B380004000000000000000000000000016240000030000000000000000001C000001E02100000000C8EE19826330483C004408802A95290008208002425000888818E0EC88E663285B73B973928ECD73398A9879899C28E80000000000100000000000000020000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]-N-(2-furylmethyl)acetamide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxo-1-imidazolidinyl]-N-(2-furanylmethyl)acetamide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[4-(2-chlorophenyl)-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]-N-(furan-2-ylmethyl)ethanamide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[4-(2-chlorophenyl)-2,5-diketo-4-methyl-imidazolidin-1-yl]-N-(2-furfuryl)acetamide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C17H16ClN3O4/c1-17(12-6-2-3-7-13(12)18)15(23)21(16(24)20-17)10-14(22)19-9-11-5-4-8-25-11/h2-8H,9-10H2,1H3,(H,19,22)(H,20,24) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 UGNWCHVJEKUYMX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.6 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 361.082934 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C17H16ClN3O4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 361.77964 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC=CO2)C3=CC=CC=C3Cl SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC=CO2)C3=CC=CC=C3Cl Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 91.6 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 361.082934 25 1 0 1 0 0 0 0 1 4