60219816 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 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 2 2 2 3 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 9 9 10 11 12 12 13 13 14 14 16 16 17 18 18 19 19 20 20 21 21 22 23 23 24 15 6 9 11 8 15 31 12 13 34 10 11 7 25 26 8 27 28 29 30 10 16 18 32 15 17 14 20 17 21 19 33 35 22 36 22 37 23 38 24 39 40 24 41 42 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 2 1 2 1 1 1 1 1 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 6.7619 9.7619 6.7619 4.6783 10.0938 9.2619 8.2619 7.7619 10.7506 10.9568 9.3568 5.2619 3.732 3.732 6.2619 11.4949 4.6783 11.9073 12.4454 2.866 2.866 12.6516 2 2 9.1542 9.8445 8.3695 7.6793 7.6542 8.3445 6.4519 8.7501 11.367 4.8709 4.8709 12.0352 12.9069 2.866 2.866 13.241 1.4631 1.4631 -2.2555 1.2086 -0.5234 -2.1942 2.7835 0.3426 0.3426 -0.5234 1.3117 2.2902 2.1164 -1.3894 -1.8894 -0.8894 -1.3894 0.6438 -0.5847 2.6008 0.9545 -2.3894 -0.3894 1.933 -1.8894 -0.8894 -0.268 0.1306 0.9532 0.5547 -1.134 -0.7355 0.0135 2.2443 0.0372 -2.7835 0.0046 3.2075 0.5404 -3.0094 0.2306 2.1256 -2.1994 -0.5794 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 9 9 10 12 13 13 14 14 16 18 19 20 21 23 9 11 12 13 10 11 10 16 18 17 14 20 17 21 19 22 22 23 24 24 0 Compound Canonicalized 5 2012.05.21 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 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 00000371E07BA000000000000000000000000000000162C0000030600000000000005801FE00001E00100000000C08C19E0435D0F7CD9000A8032573740082802D3712A009D9A1B874D88868F2C0DDB1942108689602C8C9A71889809E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(benzimidazol-1-yl)propyl]-1H-indole-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(1-benzimidazolyl)propyl]-1H-indole-2-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[3-(benzimidazol-1-yl)propyl]-1<I>H</I>-indole-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(benzimidazol-1-yl)propyl]-1H-indole-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(benzimidazol-1-yl)propyl]-1H-indole-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(benzimidazol-1-yl)propyl]-1H-indole-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H18N4O/c24-19(17-12-14-6-1-2-7-15(14)22-17)20-10-5-11-23-13-21-16-8-3-4-9-18(16)23/h1-4,6-9,12-13,22H,5,10-11H2,(H,20,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 KQMCAWNFFJLKDE-UHFFFAOYSA-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 2021.05.07 318.14806121 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H18N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 318.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C=C(N2)C(=O)NCCCN3C=NC4=CC=CC=C43 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C=C(N2)C(=O)NCCCN3C=NC4=CC=CC=C43 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 2021.05.07 318.14806121 24 0 0 0 0 0 0 0 1 -1