69382676 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 9 8 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 1 2 3 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 11 11 11 12 12 13 13 14 15 16 16 17 17 18 18 19 19 20 21 21 22 22 23 23 24 24 25 15 7 15 33 10 12 34 10 14 13 39 40 8 10 26 9 27 28 11 29 30 13 31 32 14 16 35 36 17 18 19 37 20 38 21 22 20 41 42 23 43 24 44 25 45 25 46 1 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 2 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 7 3 8 10 26 3 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 9.7619 8.2619 6.7619 4.6783 4.6783 9.7619 6.2619 6.7619 7.7619 5.2619 8.2619 3.732 9.2619 3.732 7.7619 2.866 2.866 8.2619 2 2 9.2619 7.7619 9.7619 8.2619 9.2619 6.8819 6.8695 6.1793 7.6542 8.3445 8.3695 7.6793 6.4519 4.8709 9.1542 9.8445 2.866 2.866 10.3819 9.4519 1.4631 1.4631 9.5719 7.1419 10.3819 7.9519 -3.7326 0.5976 -0.2685 1.4023 -0.2072 3.1956 0.5976 1.4636 1.4636 0.5976 2.3296 1.0976 2.3296 0.0976 -0.2685 1.5976 -0.4024 -1.1345 1.0976 0.0976 -1.1345 -2.0005 -2.0005 -2.8665 -2.8665 0.5976 2.0742 1.6756 0.853 1.2515 2.9402 2.5417 -0.8054 1.9916 1.719 2.1176 2.2176 -1.0224 3.1956 3.7326 1.4076 -0.2124 -0.5976 -2.0005 -2.0005 -3.4035 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 7 12 12 14 16 17 18 18 19 21 22 23 24 10 12 10 14 8 14 16 17 19 20 21 22 20 23 24 25 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 428 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BA10000000000000000000000000000016000000030600000000000005801F400001F00100000000C28C19F0C31D0B6C99000A8032772740082802DA512A00999A13874D88868B2C09D91942108689602C8C9A71888008E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[5-amino-1-(1H-benzimidazol-2-yl)pentyl]-4-fluoro-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[5-amino-1-(1H-benzimidazol-2-yl)pentyl]-4-fluorobenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[5-amino-1-(1<I>H</I>-benzimidazol-2-yl)pentyl]-4-fluorobenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[5-amino-1-(1H-benzimidazol-2-yl)pentyl]-4-fluorobenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[5-azanyl-1-(1H-benzimidazol-2-yl)pentyl]-4-fluoranyl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[5-amino-1-(1H-benzimidazol-2-yl)pentyl]-4-fluoro-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H21FN4O/c20-14-10-8-13(9-11-14)19(25)24-17(7-3-4-12-21)18-22-15-5-1-2-6-16(15)23-18/h1-2,5-6,8-11,17H,3-4,7,12,21H2,(H,22,23)(H,24,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 GUGKBJHTOBXBRF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 340.16993947 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H21FN4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 340.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)NC(=N2)C(CCCCN)NC(=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)C(CCCCN)NC(=O)C3=CC=C(C=C3)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 83.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 340.16993947 25 1 0 1 0 0 0 0 1 -1