46359012 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 47 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 7 7 8 8 8 9 9 9 10 10 11 11 14 14 14 15 15 16 17 17 17 18 18 19 19 20 21 21 22 23 23 24 24 25 12 20 25 10 11 13 12 14 35 13 15 36 13 16 8 9 12 26 10 27 28 11 29 30 31 32 33 34 17 37 38 16 18 19 20 39 40 21 41 22 42 23 22 43 44 24 45 25 46 47 2 1 1 1 1 1 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 1 1 1 2 2 1 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 35 36 37 38 39 40 41 42 43 44 45 46 47 9.7619 12.8497 6.2619 9.7619 4.6783 4.6783 8.2619 7.7619 7.7619 6.7619 6.7619 9.2619 5.2619 10.7619 3.732 3.732 11.2619 2.866 2.866 12.2619 2 2 12.8497 13.8007 13.8007 8.5719 8.3445 7.6542 7.6542 8.3445 6.8695 6.1793 6.1793 6.8695 9.4519 4.8709 11.3445 10.6542 10.6793 11.3695 2.866 2.866 1.4631 1.4631 12.6581 14.3023 14.3023 1.4395 -1.9676 0.5735 -0.2925 1.3782 -0.2312 0.5735 1.4395 -0.2925 1.4395 -0.2925 0.5735 0.5735 -0.2925 1.0735 0.0735 -1.1585 1.5735 -0.4265 -1.1585 1.0735 0.0735 -0.3495 -0.6585 -1.6585 0.0366 1.6516 2.0501 -0.9031 -0.5046 2.0501 1.6516 -0.5046 -0.9031 -0.8295 1.9676 -0.0805 0.3181 -1.3706 -1.7691 2.1935 -1.0465 1.3835 -0.2365 0.2401 -0.2941 -2.023 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 5 5 6 6 15 15 16 18 19 20 21 23 24 20 25 13 15 13 16 16 18 19 21 22 23 22 24 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 453 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB0000000000000000000000000000001624000003C400000000000005801FC00001E00100000000D0CE1960631D4B7C99440A801AD72F40082882DA532A00999A13E7CD88C6EBAC4BD9B963928EED613C8E9A79C48000A00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(1H-benzimidazol-2-yl)-N-[2-(2-furyl)ethyl]piperidine-4-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(1H-benzimidazol-2-yl)-N-[2-(2-furanyl)ethyl]-4-piperidinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(1<I>H</I>-benzimidazol-2-yl)-<I>N</I>-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(1H-benzimidazol-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(1H-benzimidazol-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(1H-benzimidazol-2-yl)-N-[2-(2-furyl)ethyl]isonipecotamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H22N4O2/c24-18(20-10-7-15-4-3-13-25-15)14-8-11-23(12-9-14)19-21-16-5-1-2-6-17(16)22-19/h1-6,13-14H,7-12H2,(H,20,24)(H,21,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BTTJUIABVKVRFL-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 2021.05.07 338.17427596 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H22N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 338.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(CCC1C(=O)NCCC2=CC=CO2)C3=NC4=CC=CC=C4N3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(CCC1C(=O)NCCC2=CC=CO2)C3=NC4=CC=CC=C4N3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 74.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 338.17427596 25 0 0 0 0 0 0 0 1 -1