42922583 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 8 8 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 2 2 3 3 3 4 4 4 5 5 6 6 6 7 7 7 9 9 10 10 11 12 13 13 14 14 15 15 16 16 17 17 18 18 19 20 20 21 21 22 23 23 24 25 12 24 25 6 12 29 8 10 30 8 11 7 8 26 9 27 28 13 14 11 15 16 17 20 31 21 32 18 33 19 34 23 24 19 35 36 22 37 22 38 39 25 40 41 42 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 2 1 1 1 6 3 7 8 26 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 5.2619 7.9643 6.7619 4.6783 4.6783 6.2619 6.7619 5.2619 7.7619 3.732 3.732 6.2619 8.2619 8.2619 2.866 2.866 6.7619 2 2 9.2619 9.2619 9.7619 6.3551 7.7564 7.0983 5.9519 6.8695 6.1793 7.3819 4.8709 7.9519 7.9519 2.866 2.866 1.4631 1.4631 9.5719 9.5719 10.3819 5.7487 8.1713 7.0335 -0.5077 -2.4564 0.3583 2.0291 0.4196 1.2244 2.0904 1.2244 2.0904 1.7244 0.7244 -0.5077 2.9564 1.2244 2.2244 0.2244 -1.3737 1.7244 0.7244 2.9564 1.2244 2.0904 -2.2873 -1.4782 -2.9564 0.6874 2.701 2.3024 0.3583 2.6184 3.4933 0.6874 2.8444 -0.3956 2.0344 0.4144 3.4933 0.6874 2.0904 -2.4162 -1.0175 -3.573 8 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 4 4 5 5 6 9 9 10 10 11 13 14 15 16 17 17 18 20 21 23 24 25 8 10 8 11 7 13 14 11 15 16 20 21 18 19 23 24 19 22 22 25 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 452 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B300000000000000000000000000000016240000030600000000000005801FC00001E00100000000C28E19F0631D4B6C99440A8032F72F40082882DA532A00999A13E7CD88C6EBECCBD9B963968EEF613C8E9A73780800E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]furan-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-furancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[1-(1<I>H</I>-benzimidazol-2-yl)-2-phenylethyl]furan-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]furan-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]furan-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-3-furamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H17N3O2/c24-20(15-10-11-25-13-15)23-18(12-14-6-2-1-3-7-14)19-21-16-8-4-5-9-17(16)22-19/h1-11,13,18H,12H2,(H,21,22)(H,23,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SVYADKLHRBFMSC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 331.132076794 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H17N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 331.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)CC(C2=NC3=CC=CC=C3N2)NC(=O)C4=COC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)CC(C2=NC3=CC=CC=C3N2)NC(=O)C4=COC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 70.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 331.132076794 25 1 0 1 0 0 0 0 1 -1