60219111 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 4 4 4 5 5 5 6 7 7 8 8 9 10 10 11 11 12 12 13 13 13 14 15 15 17 17 18 18 19 19 20 20 21 22 22 23 16 6 7 13 6 9 8 16 26 10 11 30 8 9 15 24 25 17 14 16 12 18 14 19 27 28 29 31 20 32 21 33 22 34 23 35 21 36 37 23 38 39 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 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 6.7619 7.8568 9.2506 6.7619 4.6783 8.2619 8.5938 7.7619 9.4598 5.2619 3.732 3.732 6.8783 4.6783 8.5938 6.2619 10.3258 2.866 2.866 9.4598 10.3258 2 2 7.6542 8.3445 6.4519 7.0061 6.2716 6.7504 4.8709 4.8709 8.0569 10.8628 2.866 2.866 9.4598 10.8628 1.4631 1.4631 -2.5725 0.9334 0.1287 -0.8404 -2.5112 0.0256 1.6005 -0.8404 1.1005 -1.7064 -2.2064 -1.2064 1.1396 -0.9017 2.6005 -1.7064 1.6005 -2.7064 -0.7064 3.1005 2.6005 -2.2064 -1.2064 -1.451 -1.0525 -0.3035 1.7463 1.2675 0.5329 -3.1005 -0.3124 2.9105 1.2905 -3.3264 -0.0864 3.7205 2.9105 -2.5164 -0.8964 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 5 5 7 7 9 10 11 11 12 12 15 17 18 19 20 22 6 7 6 9 10 11 9 15 17 14 12 18 14 19 20 21 22 23 21 23 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BA000000000000000000000000000000162C0000030600000000000005801FE00001E00100000000C08C19F0433D0F7CD9000A8032772740082802D2712A009D9A1B874D88868F2C09DB1942108689602C8C9A71889809E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(1-methylbenzimidazol-2-yl)methyl]-1H-indole-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(1-methyl-2-benzimidazolyl)methyl]-1H-indole-2-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[(1-methylbenzimidazol-2-yl)methyl]-1<I>H</I>-indole-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(1-methylbenzimidazol-2-yl)methyl]-1H-indole-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(1-methylbenzimidazol-2-yl)methyl]-1H-indole-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(1-methylbenzimidazol-2-yl)methyl]-1H-indole-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H16N4O/c1-22-16-9-5-4-8-14(16)21-17(22)11-19-18(23)15-10-12-6-2-3-7-13(12)20-15/h2-10,20H,11H2,1H3,(H,19,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LSIOMOLLLBFQRD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.7 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 CN1C2=CC=CC=C2N=C1CNC(=O)C3=CC4=CC=CC=C4N3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=CC=CC=C2N=C1CNC(=O)C3=CC4=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 2021.05.07 304.13241115 23 0 0 0 0 0 0 0 1 -1