60566153 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 47 48 49 9 8 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 7 7 7 8 8 8 8 9 9 9 10 10 10 11 11 12 12 14 15 15 16 17 17 18 18 19 19 20 20 21 22 22 23 24 25 25 26 27 28 28 28 21 14 27 11 12 14 13 15 38 13 16 24 27 46 9 10 13 29 11 30 31 12 32 33 34 35 36 37 17 16 18 19 20 21 22 39 23 40 24 41 25 23 42 43 26 26 44 45 28 47 48 49 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 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 47 48 49 11.2619 9.7619 10.7619 8.2619 4.6783 4.6783 9.2619 6.2619 6.7619 6.7619 7.7619 7.7619 5.2619 9.2619 3.732 3.732 9.7619 2.866 2.866 9.2619 10.7619 2 2 9.7619 11.2619 10.7619 9.7619 9.2619 5.9519 6.8695 6.1793 6.1793 6.8695 8.3445 7.6542 7.6542 8.3445 4.8709 2.866 2.866 8.6419 1.4631 1.4631 11.8819 11.0719 8.6419 8.7249 8.9519 9.7988 1.901 2.7671 -2.4291 1.901 2.7058 1.0963 -1.563 1.901 2.7671 1.035 2.7671 1.035 1.901 1.901 2.401 1.401 1.035 2.901 0.901 0.169 1.035 2.401 1.401 -0.697 0.169 -0.697 -2.4291 -3.2951 2.438 3.3777 2.9791 0.823 0.4244 2.9791 3.3776 0.4244 0.823 3.2951 3.521 0.281 0.169 2.711 1.091 0.169 -1.234 -1.563 -2.9851 -3.832 -3.6051 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 15 15 16 17 17 18 19 20 21 22 24 25 13 15 13 16 16 18 19 20 21 22 23 24 25 23 26 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 581 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 00000371E07BB1000000000000000000000000000001600000003C608000000000005801F400001F00100000000D08C19F0C33D0B7C99000A8032772740082802DA512A00999213874D88868B2C09D91942108689602C8C9A71C88008E00000040000000200000008000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-4-fluoro-phenyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]-oxomethyl]-4-fluorophenyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[3-[4-(1<I>H</I>-benzimidazol-2-yl)piperidine-1-carbonyl]-4-fluorophenyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-4-fluorophenyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonyl-4-fluoranyl-phenyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-4-fluoro-phenyl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H21FN4O2/c1-13(27)23-15-6-7-17(22)16(12-15)21(28)26-10-8-14(9-11-26)20-24-18-4-2-3-5-19(18)25-20/h2-7,12,14H,8-11H2,1H3,(H,23,27)(H,24,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ALQYJUWWSYFHQO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 380.16485409 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H21FN4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 380.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)NC1=CC(=C(C=C1)F)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)NC1=CC(=C(C=C1)F)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 78.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 380.16485409 28 0 0 0 0 0 0 0 1 -1