60572618 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 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 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 10 10 10 10 11 11 11 13 13 14 14 16 17 17 18 18 19 19 20 21 22 22 23 23 24 24 25 25 26 26 27 15 21 9 15 38 12 14 39 12 16 13 21 40 9 12 28 29 30 31 11 13 32 33 15 34 35 36 37 16 17 18 19 41 20 42 20 43 44 22 23 24 25 45 26 46 27 47 27 48 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 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 48 14.2619 7.7619 12.7619 7.7619 4.6783 4.6783 11.2619 6.2619 6.7619 9.7619 9.2619 5.2619 10.7619 3.732 8.2619 3.732 2.866 2.866 2 2 12.2619 12.7619 13.7619 12.2619 14.2619 12.7619 13.7619 6.8445 6.1542 6.1793 6.8695 9.1793 9.8695 9.8445 9.1542 11.3445 10.6542 8.0719 4.8709 10.9519 2.866 2.866 1.4631 1.4631 14.0719 11.6419 14.8819 12.4519 -4.1611 0.169 0.169 1.901 3.5718 1.9623 -0.697 2.7671 1.901 0.169 1.035 2.7671 0.169 3.2671 1.035 2.2671 3.7671 1.7671 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 -0.0431 -0.4416 1.2471 1.6456 0.381 0.7796 2.438 4.1611 -1.234 4.3871 1.1471 3.5771 1.9571 -1.0261 -2.4291 -2.4291 -3.832 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 14 14 16 17 18 19 22 22 23 24 25 26 12 14 12 16 16 17 18 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 2021.05.07 496 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 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB10000000000000000000000000000016000000030600000000000005801F400001F00100000000C08C19F0C31D0B6C99000A8032772740082802DA512A00999A13874D88868B2C0DD91942108689602C8C9A71C88008E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxo-butyl]-4-fluoro-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]-4-fluorobenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-[2-(1<I>H</I>-benzimidazol-2-yl)ethylamino]-4-oxobutyl]-4-fluorobenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]-4-fluorobenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxidanylidene-butyl]-4-fluoranyl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-keto-butyl]-4-fluoro-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H21FN4O2/c21-15-9-7-14(8-10-15)20(27)23-12-3-6-19(26)22-13-11-18-24-16-4-1-2-5-17(16)25-18/h1-2,4-5,7-10H,3,6,11-13H2,(H,22,26)(H,23,27)(H,24,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OAIUSJUDRHTPBZ-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 2021.05.07 368.16485409 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H21FN4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 368.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)NC(=N2)CCNC(=O)CCCNC(=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)CCCNC(=O)C3=CC=C(C=C3)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 86.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 368.16485409 27 0 0 0 0 0 0 0 1 -1