52470605 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 8 7 7 7 7 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 2 2 2 3 3 3 4 4 4 5 5 6 6 6 8 8 9 9 10 10 10 11 12 12 13 13 15 16 16 17 17 18 18 19 19 20 20 21 22 22 23 14 6 14 25 7 8 26 9 12 30 7 11 7 10 24 11 16 14 15 27 28 29 17 13 18 15 19 31 20 32 21 33 22 34 23 35 21 36 37 23 38 39 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 6 2 10 7 24 2 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 8.2619 6.7619 4.6783 9.2506 4.6783 6.2619 5.2619 3.732 8.2619 6.7619 3.732 9.4598 8.5938 7.7619 7.8568 2.866 2.866 10.3258 8.5938 2 2 10.3258 9.4598 6.8819 6.4519 4.8709 7.2988 7.0719 6.2249 9.6647 7.2501 2.866 2.866 10.8628 8.0569 1.4631 1.4631 10.8628 9.4598 1.7064 0.8404 2.5112 -0.1287 0.9017 1.7064 1.7064 2.2064 -0.0256 2.5725 1.2064 -1.1005 -1.6005 0.8404 -0.9334 2.7064 0.7064 -1.6005 -2.6005 2.2064 1.2064 -2.6005 -3.1005 1.7064 0.3035 3.1005 2.2625 3.1094 2.8825 0.3328 -1.0613 3.3264 0.0864 -1.2905 -2.9105 2.5164 0.8964 -2.9105 -3.7205 8 8 8 8 8 8 6 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 5 6 8 8 9 11 12 12 13 13 16 17 18 19 20 22 7 8 9 12 7 11 2 11 16 15 17 13 18 15 19 20 21 22 23 21 23 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 443 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 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BA000000000000000000000000000000162C0000030600000000000005801FE00001E00100000000C28C19F0433D0F6C99000A8032772740082802DA712A00999A1B874D88868F2C09DB1942108689602C8C9A71889809E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[(1<I>S</I>)-1-(1<I>H</I>-benzimidazol-2-yl)ethyl]-1<I>H</I>-indole-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H16N4O/c1-11(17-21-14-8-4-5-9-15(14)22-17)19-18(23)16-10-12-6-2-3-7-13(12)20-16/h2-11,20H,1H3,(H,19,23)(H,21,22)/t11-/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LKPHJJMGBFONSZ-NSHDSACASA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 304.13241115 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H16N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 304.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC4=CC=CC=C4N3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CC4=CC=CC=C4N3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 73.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 304.13241115 23 1 1 0 0 0 0 0 1 -1