451208 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 17 17 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 10 11 1 2 3 4 5 5 5 6 6 6 7 7 7 8 8 9 9 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 21 20 10 11 7 11 22 10 11 23 8 9 10 13 15 12 14 17 25 16 24 18 27 19 26 20 28 21 29 21 31 20 30 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 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 2 5.6555 5.2444 8.5523 6.9372 6.9937 5.9975 5.6555 4.9982 6.0324 7.5529 4.5287 4.7895 4.4682 6.5215 4.7895 3.5293 3.4688 6.5215 5.6555 2.9994 7.1081 7.2058 4.2526 4.8572 7.0585 4.7593 4.2526 3.2382 7.0585 3.1403 1.1807 -2.8987 2.6561 1.4521 0.699 2.3161 1.041 0.1013 1.0759 2.0404 1.487 1.9589 -0.3987 0.228 -0.3987 -1.3987 1.9938 0.2628 -1.3987 -1.8987 1.1457 0.103 2.8987 -0.0887 2.4847 -0.0887 -0.3195 -1.7087 2.5412 -1.7087 -0.2629 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 12 13 14 15 16 17 18 19 13 15 12 14 17 16 18 19 20 21 21 20 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 405 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0733000060000000000000000000000000160000000306000000000000000014000001E02100000000C8A819820310082C000008802215210008200002005000888018006888860328197319420086885220888071888C08E84000000000000000800000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 5,5-bis(4-chlorophenyl)hydantoin InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C15H10Cl2N2O2/c16-11-5-1-9(2-6-11)15(13(20)18-14(21)19-15)10-3-7-12(17)8-4-10/h1-8H,(H2,18,19,20,21)/i13-1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 QUIIKRQNYWCNAM-HSGWXFLFSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 3.7 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 319.023367 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C15H10Cl2N2O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 320.158834 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC(=CC=C1C2(C(=O)NC(=O)N2)C3=CC=C(C=C3)Cl)Cl SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC(=CC=C1C2([11C](=O)NC(=O)N2)C3=CC=C(C=C3)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 58.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 319.023367 21 0 0 0 0 0 0 1 1 5