60527311 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 46 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 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 7 7 8 8 9 10 10 10 12 14 14 15 15 15 16 16 17 17 18 19 19 20 21 21 22 22 23 23 24 24 25 25 26 27 27 28 11 6 7 15 11 12 35 13 17 36 13 18 8 14 9 11 9 16 29 12 13 21 22 19 30 31 32 33 20 34 18 23 24 20 37 38 25 39 26 40 27 41 28 42 26 43 44 28 45 46 2 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 2 2 2 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 40 41 42 43 44 45 46 7.7619 6.667 6.2619 4.6783 4.6783 5.93 6.2619 5.064 5.2732 6.2619 6.7619 6.7619 5.2619 5.93 7.6455 4.1979 3.732 3.732 5.064 4.1979 6.7619 7.7619 2.866 2.866 7.7619 8.2619 2 2 4.8591 6.4669 7.5176 8.2522 7.7734 3.661 5.6419 4.8709 5.064 3.661 6.4519 8.0719 2.866 2.866 8.0719 8.8819 1.4631 1.4631 -0.0256 -1.7994 0.8404 3.3772 1.7677 -2.4665 -0.8916 -1.9665 -0.9947 2.5725 -0.0256 1.7064 2.5725 -3.4665 -2.0056 -2.4665 3.0725 2.0725 -3.9665 -3.4665 3.4385 1.7064 3.5725 1.5725 3.4385 2.5725 3.0725 2.0725 -0.5332 -3.7765 -2.6123 -2.1335 -1.399 -2.1565 0.8404 3.9665 -4.5865 -3.7765 3.9754 1.1695 4.1925 0.9525 3.9754 2.5725 3.3825 1.7625 8 8 8 8 8 8 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 10 10 12 14 16 17 17 18 19 21 22 23 24 25 27 6 7 13 17 13 18 8 14 9 9 16 12 21 22 19 20 18 23 24 20 25 26 27 28 26 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 569 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 00000371E07BA000000000000000000000000000000162C000003060C000000000005801FE00001E00100000000C08819F0433D0F7CD9000A8032772740082802DA712A009D921B874D88868F2C0DDB1942108689402C8C9A71889809E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(1H-benzimidazol-2-yl)phenyl]-1-methyl-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)phenyl]-1-methyl-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)phenyl]-1-methylindole-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(1H-benzimidazol-2-yl)phenyl]-1-methylindole-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(1H-benzimidazol-2-yl)phenyl]-1-methyl-indole-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(1H-benzimidazol-2-yl)phenyl]-1-methyl-indole-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H18N4O/c1-27-20-13-7-2-8-15(20)14-21(27)23(28)26-17-10-4-3-9-16(17)22-24-18-11-5-6-12-19(18)25-22/h2-14H,1H3,(H,24,25)(H,26,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HXQIKSHDOGPENK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 366.14806121 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H18N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 366.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5N4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5N4 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 2021.05.07 366.14806121 28 0 0 0 0 0 0 0 1 -1