60402146 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 9 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 2 3 3 3 4 4 4 5 5 5 6 6 7 7 7 7 8 8 10 10 11 11 11 12 13 13 14 15 17 18 18 19 19 20 20 21 21 22 23 23 24 17 16 9 13 29 10 12 31 8 16 32 9 14 8 9 25 26 27 28 15 16 12 15 17 18 14 19 20 30 21 22 33 23 34 24 35 22 36 37 24 38 39 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 2 1 2 2 1 1 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 2.866 6.7619 9.8455 4.6783 6.7619 9.8455 8.2619 7.7619 9.2619 5.2619 3.732 3.732 10.7917 10.7917 4.6783 6.2619 2.866 2.866 11.6577 11.6577 2 2 12.5238 12.5238 8.3695 7.6793 7.6542 8.3445 9.6529 4.8709 4.8709 6.4519 2.866 11.6577 11.6577 1.4631 1.4631 13.0607 13.0607 1.331 -1.535 0.2583 -1.4737 0.197 1.8678 1.063 0.197 1.063 -0.669 -0.169 -1.169 0.5631 1.563 0.1357 -0.669 0.331 -1.669 0.0631 2.063 -0.169 -1.169 0.5631 1.563 1.6736 1.2751 -0.4136 -0.015 -0.331 0.7251 -2.063 0.734 -2.289 -0.5569 2.683 0.141 -1.479 0.2531 1.873 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 6 6 10 11 11 11 12 13 13 14 17 18 19 20 21 23 9 13 10 12 9 14 15 12 15 17 18 14 19 20 21 22 23 24 22 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 462 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07BA100000000000000000000000000000162C0000030600000000000005801FE00001F00100000000C08C19F0C31D0F6C99000A8032772740082802DA712A00999A1B874D88868F2C0DDB1942108689602C8C9A71889809E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluoro-1H-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]-4-fluoro-1H-indole-2-carboxamide 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]-4-fluoro-1<I>H</I>-indole-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluoro-1H-indole-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluoranyl-1H-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]-4-fluoro-1H-indole-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H15FN4O/c19-12-4-3-7-13-11(12)10-16(21-13)18(24)20-9-8-17-22-14-5-1-2-6-15(14)23-17/h1-7,10,21H,8-9H2,(H,20,24)(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 JXZJPDDPBIEUTE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 322.12298928 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H15FN4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 322.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)NC(=N2)CCNC(=O)C3=CC4=C(N3)C=CC=C4F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)NC(=N2)CCNC(=O)C3=CC4=C(N3)C=CC=C4F 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 2021.05.07 322.12298928 24 0 0 0 0 0 0 0 1 -1