60210723 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 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 2 2 3 3 3 4 4 5 5 6 7 7 8 8 9 9 10 10 11 12 12 13 13 14 14 15 15 16 17 3 11 6 11 4 5 6 7 9 8 10 18 12 19 13 20 14 21 15 22 23 16 24 17 25 16 26 17 27 28 29 1 2 2 1 1 1 1 2 1 2 1 1 1 1 1 1 2 1 2 1 1 2 1 2 1 1 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 5.9344 5.4344 4.9344 4.9344 3.9563 4.6254 4.0684 3.2872 5.8005 3.6473 6.2434 4.0684 2.309 5.8005 2.6691 4.9344 2 4.0358 3.5315 3.4788 6.3374 4.0621 6.8331 3.5315 1.8941 6.3374 2.4775 4.9344 1.3936 0.7306 2.2694 0.7306 -0.2694 0.9386 1.6816 -0.7694 0.1953 -0.7694 1.8896 1.6816 -1.7694 0.4033 -1.7694 2.0975 -2.2694 1.3544 1.8732 -0.4594 -0.3943 -0.4594 2.3503 1.8732 -2.0794 -0.0575 -2.0794 2.6871 -2.8894 1.4833 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 7 8 9 10 12 13 14 15 7 9 8 10 12 13 14 15 16 17 16 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 289 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0730000000000000000000000000000000100000000306000000000000000014000001C00000000000C88C11804310082000000A002306324008200012000000888002004880820228091118020006080000888071080C00E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,4-diphenylimidazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,4-diphenylimidazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,4-diphenylimidazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,4-diphenylimidazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,4-diphenylimidazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,4-diphenylimidazole InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H12N2/c1-3-7-13(8-4-1)15(11-16-12-17-15)14-9-5-2-6-10-14/h1-12H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DEKUCXKLJFRKMM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 220.100048391 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H12N2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 220.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2(C=NC=N2)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2(C=NC=N2)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 24.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 220.100048391 17 0 0 0 0 0 0 0 1 -1