52715011 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 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 2 2 3 3 3 4 4 4 5 5 6 6 7 7 8 8 9 9 9 10 11 11 11 11 12 12 14 14 16 16 17 17 17 18 18 19 20 20 21 22 22 23 23 24 24 25 13 6 7 9 12 13 34 15 18 39 15 19 8 14 10 13 10 16 17 26 27 28 12 15 29 30 31 32 20 33 21 35 36 37 38 19 22 23 21 40 41 24 42 25 43 25 44 45 2 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 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 6.7619 4.6783 6.7619 9.8455 9.8455 3.732 5.2619 3.732 4.9889 4.6783 8.2619 7.7619 6.2619 2.866 9.2619 2.866 4.3211 10.7917 10.7917 2 2 11.6577 11.6577 12.5238 12.5238 5.3715 5.5359 4.8709 8.3695 7.6793 7.6542 8.3445 2.866 6.4519 2.866 3.8596 3.907 4.7826 9.6529 1.4631 1.4631 11.6577 11.6577 13.0607 13.0607 -1.1793 -1.118 0.5528 2.2235 0.614 -0.8133 -0.3133 0.1867 -2.0685 0.4915 1.4188 0.5528 -0.3133 -1.3133 1.4188 0.6867 -2.8128 1.9188 0.9188 -0.8133 0.1867 2.4188 0.4188 1.9188 0.9188 -2.5564 -1.7765 1.0808 2.0294 1.6308 -0.0578 0.3407 -1.9333 1.0897 1.3067 -2.3988 -3.2743 -3.2269 2.8128 -1.1233 0.4967 3.0388 -0.2012 2.2288 0.6088 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 4 4 5 5 6 6 7 8 8 14 16 18 18 19 20 22 23 24 6 7 15 18 15 19 8 14 10 10 16 20 21 19 22 23 21 24 25 25 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 471 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 00000371E07BA000000000000000000000000000000162C0000030600000000000005801FE00001E00100000000C08C19F0433D0F7CD9000A8032772740082802DA712A009D9A1B874D88868F2C0DDB1942108689602C8C9A71889809E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-indole-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-2-indolecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[2-(1<I>H</I>-benzimidazol-2-yl)ethyl]-1-ethylindole-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethylindole-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-indole-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-indole-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H20N4O/c1-2-24-17-10-6-3-7-14(17)13-18(24)20(25)21-12-11-19-22-15-8-4-5-9-16(15)23-19/h3-10,13H,2,11-12H2,1H3,(H,21,25)(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 IUQSNQIQCYJRMJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 332.16371127 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H20N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 332.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN1C2=CC=CC=C2C=C1C(=O)NCCC3=NC4=CC=CC=C4N3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN1C2=CC=CC=C2C=C1C(=O)NCCC3=NC4=CC=CC=C4N3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 62.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 332.16371127 25 0 0 0 0 0 0 0 1 -1