66786395 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 42 43 44 45 46 8 8 7 7 7 7 6 6 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 1 1 1 2 3 3 3 4 4 4 5 5 6 6 6 7 7 7 7 8 8 8 9 9 10 10 10 11 11 14 14 15 16 16 17 17 18 18 19 20 21 21 22 22 23 23 24 24 25 25 26 13 20 9 11 13 12 14 36 12 15 13 20 37 8 9 12 27 10 28 29 30 31 11 32 33 34 35 15 16 17 18 38 19 39 19 40 41 21 22 23 24 42 25 43 26 44 26 45 46 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 1 7 8 9 12 27 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 42 43 44 45 46 7.7619 9.2619 7.7619 4.6783 4.6783 9.2619 6.2619 6.7619 6.7619 7.7619 8.2619 5.2619 8.2619 3.732 3.732 2.866 2.866 2 2 9.7619 10.7619 11.2619 11.2619 12.2619 12.2619 12.7619 5.9519 6.1793 6.8695 6.8695 6.1793 7.6542 8.3445 8.7368 8.7368 4.8709 9.5719 2.866 2.866 1.4631 1.4631 10.9519 10.9519 12.5719 12.5719 13.3819 1.366 2.232 -0.366 -0.4273 -2.0368 0.5 -1.232 -2.0981 -0.366 -2.0981 -1.232 -1.232 0.5 -0.7321 -1.732 -0.2321 -2.232 -0.7321 -1.732 1.366 1.366 0.5 2.232 0.5 2.232 1.366 -0.6951 -2.3101 -2.7087 0.2446 -0.154 -2.7087 -2.3101 -1.6306 -0.8335 0.162 -0.0369 0.3879 -2.8521 -0.4221 -2.042 -0.0369 2.769 -0.0369 2.769 1.366 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 7 14 14 15 16 17 18 21 21 22 23 24 25 12 14 12 15 12 15 16 17 18 19 19 22 23 24 25 26 26 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 520 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB0000000000000000000000000000001600000003C608000000000005801F400001E00100000000D08C19F0431D0B7C99000A8032772740082802DA512A00999213874D88868B2C0DD91942108689722C8C9A71888008E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1H-benzimidazol-2-yl)-N-benzoyl-piperidine-1-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1H-benzimidazol-2-yl)-N-benzoyl-1-piperidinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1<I>H</I>-benzimidazol-2-yl)-<I>N</I>-benzoylpiperidine-1-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1H-benzimidazol-2-yl)-N-benzoylpiperidine-1-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1H-benzimidazol-2-yl)-N-(phenylcarbonyl)piperidine-1-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1H-benzimidazol-2-yl)-N-benzoyl-piperidine-1-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H20N4O2/c25-19(14-7-2-1-3-8-14)23-20(26)24-12-6-9-15(13-24)18-21-16-10-4-5-11-17(16)22-18/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,21,22)(H,23,25,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SZPLVHJRMFDURB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 348.15862589 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H20N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 348.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC(CN(C1)C(=O)NC(=O)C2=CC=CC=C2)C3=NC4=CC=CC=C4N3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC(CN(C1)C(=O)NC(=O)C2=CC=CC=C2)C3=NC4=CC=CC=C4N3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 78.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 348.15862589 26 1 0 1 0 0 0 0 1 -1