60577638 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 9 8 8 7 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 1 1 2 3 4 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 9 11 11 12 12 13 14 14 14 15 15 16 16 17 17 19 19 20 21 22 22 23 23 24 24 25 25 26 26 27 18 21 10 12 32 10 13 11 18 33 14 18 40 15 21 43 10 11 28 29 30 31 13 16 17 15 34 35 36 37 19 38 20 39 20 41 42 22 23 24 25 44 26 45 27 46 27 47 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 2 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 14.2619 7.7619 12.7619 4.6783 4.6783 7.7619 9.2619 11.2619 6.2619 5.2619 6.7619 3.732 3.732 9.7619 10.7619 2.866 2.866 8.2619 2 2 12.2619 12.7619 13.7619 12.2619 14.2619 12.7619 13.7619 6.8445 6.1542 6.1793 6.8695 4.8709 8.0719 9.1793 9.8695 11.3445 10.6542 2.866 2.866 9.5719 1.4631 1.4631 10.9519 14.0719 11.6419 14.8819 12.4519 -4.1611 0.169 0.169 3.5718 1.9623 1.901 1.035 -0.697 2.7671 2.7671 1.901 3.2671 2.2671 0.169 0.169 3.7671 1.7671 1.035 3.2671 2.2671 -0.697 -1.563 -1.563 -2.4291 -2.4291 -3.2951 -3.2951 2.9791 3.3777 1.689 1.2905 4.1611 2.438 -0.0431 -0.4416 0.381 0.7796 4.3871 1.1471 1.572 3.5771 1.9571 -1.234 -1.0261 -2.4291 -2.4291 -3.832 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 12 12 13 16 17 19 22 22 23 24 25 26 10 12 10 13 13 16 17 19 20 20 23 24 25 26 27 27 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 499 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 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB10000000000000000000000000000016000000030600000000000005801F400001F00100000000C08C19F0C31D0B6C99000A8032772740082802DA512A00999A13874D88868B2C0DD91942108689602C8C9A71888008E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]ethyl]-4-fluoro-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-[[[2-(1H-benzimidazol-2-yl)ethylamino]-oxomethyl]amino]ethyl]-4-fluorobenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[2-[2-(1<I>H</I>-benzimidazol-2-yl)ethylcarbamoylamino]ethyl]-4-fluorobenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]ethyl]-4-fluorobenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]ethyl]-4-fluoranyl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]ethyl]-4-fluoro-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H20FN5O2/c20-14-7-5-13(6-8-14)18(26)21-11-12-23-19(27)22-10-9-17-24-15-3-1-2-4-16(15)25-17/h1-8H,9-12H2,(H,21,26)(H,24,25)(H2,22,23,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZWDSDTUFTAUJOM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 369.16010306 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H20FN5O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 369.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)NC(=N2)CCNC(=O)NCCNC(=O)C3=CC=C(C=C3)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)NC(=N2)CCNC(=O)NCCNC(=O)C3=CC=C(C=C3)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 98.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 369.16010306 27 0 0 0 0 0 0 0 1 -1