53533194 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 8 7 7 7 7 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 2 2 3 4 4 4 5 5 5 6 6 7 7 7 8 8 8 10 10 11 12 12 12 13 14 14 15 15 16 16 17 17 18 19 19 19 21 22 22 23 23 23 24 13 21 24 20 9 10 26 8 13 27 9 11 14 20 37 9 12 25 11 15 16 28 29 30 14 31 32 17 33 18 34 18 35 36 20 21 22 23 24 38 39 40 41 42 2 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 8 5 9 12 25 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 8.2619 12.3007 9.2619 4.6783 6.7619 4.6783 9.2619 6.2619 5.2619 3.732 3.732 6.7619 7.7619 8.2619 2.866 2.866 2 2 10.7619 9.7619 11.3497 11.3497 11.0406 12.3007 6.8819 4.8709 6.4519 7.2988 7.0719 6.2249 7.6793 8.3695 2.866 2.866 1.4631 1.4631 9.5719 11.1581 10.451 10.8491 11.6303 12.8023 1.482 -1.616 -1.982 2.2868 0.616 0.6773 -0.25 1.482 1.482 1.982 0.982 2.3481 0.616 -0.25 2.482 0.482 1.982 0.982 -1.116 -1.116 -1.925 -0.307 -2.8761 -0.616 1.482 2.8761 0.0791 2.0381 2.885 2.6581 -0.4621 -0.8606 3.1021 -0.138 2.292 0.672 0.2869 0.2826 -2.6845 -3.4658 -3.0677 -0.2516 8 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 2 2 4 4 6 6 8 10 10 11 15 16 17 19 19 22 21 24 9 10 9 11 12 11 15 16 17 18 18 21 22 24 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 473 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 3 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 00000371E07BB00000000000000000000000000000016240000030000000000000005801FC00001E00100000000C2CE19F0633D4B6C99440A803AF72F40082882DA532A00999A1BE7CD88C6EBECCBDBB963968EEF613C8E9A7BF00000A00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-[1-(1H-benzimidazol-2-yl)ethylamino]-2-oxo-ethyl]-2-methyl-furan-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-[1-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-2-methyl-3-furancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[2-[1-(1<I>H</I>-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-[1-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-[1-(1H-benzimidazol-2-yl)ethylamino]-2-oxidanylidene-ethyl]-2-methyl-furan-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-[1-(1H-benzimidazol-2-yl)ethylamino]-2-keto-ethyl]-2-methyl-3-furamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H18N4O3/c1-10(16-20-13-5-3-4-6-14(13)21-16)19-15(22)9-18-17(23)12-7-8-24-11(12)2/h3-8,10H,9H2,1-2H3,(H,18,23)(H,19,22)(H,20,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PAYKCJYHXKQJDU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 326.13789045 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H18N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 326.35 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=CO1)C(=O)NCC(=O)NC(C)C2=NC3=CC=CC=C3N2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=CO1)C(=O)NCC(=O)NC(C)C2=NC3=CC=CC=C3N2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 100 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 326.13789045 24 1 0 1 0 0 0 0 1 -1