60174659 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 50 51 8 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 1 1 1 1 2 2 3 4 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 15 15 16 17 17 17 18 18 18 19 19 20 22 22 23 24 24 25 25 26 26 27 12 13 14 20 16 8 9 10 11 16 39 21 22 47 21 23 11 14 28 12 29 30 13 31 32 33 34 35 36 37 38 15 19 40 17 18 41 42 21 43 44 20 45 46 23 24 25 26 48 27 49 27 50 51 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 1 2 1 1 8 4 11 14 28 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 47 48 49 50 51 8.2619 11.3497 8.2619 9.2619 8.2619 4.6783 4.6783 9.7619 9.7619 8.2619 9.2619 9.2619 7.7619 10.7619 11.3497 7.7619 6.7619 6.2619 12.3007 12.3007 5.2619 3.732 3.732 2.866 2.866 2 2 9.1419 10.2368 10.2368 8.3695 7.6793 9.8445 9.1542 9.1542 9.8445 7.2869 7.2869 7.9519 11.1581 6.1793 6.8695 6.8445 6.1542 12.8023 12.8023 4.8709 2.866 2.866 1.4631 1.4631 -3.2951 -1.506 1.901 -1.563 0.169 2.7058 1.0963 -0.697 -2.4291 -1.563 0.169 -3.2951 -2.4291 -0.697 0.112 1.035 1.035 1.901 -0.197 -1.197 1.901 2.401 1.401 2.901 0.901 2.401 1.401 -0.697 -2.8276 -2.0306 -0.9525 -1.351 0.381 0.7796 -3.9057 -3.5072 -2.0306 -2.8276 -0.3679 0.7016 0.823 0.4244 2.1131 2.5116 0.1674 -1.5614 3.2951 3.521 0.281 2.711 1.091 8 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 2 2 6 6 7 7 8 14 15 19 22 22 23 24 25 26 14 20 21 22 21 23 11 15 19 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 2021.05.07 486 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB0000000000000000000000000000001624000003C400000000000005801FC00001E0010000000082CE1970631D4B7C99440A801AF72F40082882DA532A00999A1BE7CD88E6EBAC4BDBB973928EED613D8E9A79C59031000000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1H-benzimidazol-2-yl)-N-[2-(2-furyl)-2-morpholino-ethyl]propanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1H-benzimidazol-2-yl)-N-[2-(2-furanyl)-2-(4-morpholinyl)ethyl]propanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1<I>H</I>-benzimidazol-2-yl)-<I>N</I>-[2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1H-benzimidazol-2-yl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1H-benzimidazol-2-yl)-N-[2-(furan-2-yl)-2-morpholin-4-yl-ethyl]propanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1H-benzimidazol-2-yl)-N-[2-(2-furyl)-2-morpholino-ethyl]propionamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H24N4O3/c25-20(8-7-19-22-15-4-1-2-5-16(15)23-19)21-14-17(18-6-3-11-27-18)24-9-12-26-13-10-24/h1-6,11,17H,7-10,12-14H2,(H,21,25)(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WULNLWKGDGSLPF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 368.18484064 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H24N4O3 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 C1COCCN1C(CNC(=O)CCC2=NC3=CC=CC=C3N2)C4=CC=CO4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1COCCN1C(CNC(=O)CCC2=NC3=CC=CC=C3N2)C4=CC=CO4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 83.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 368.18484064 27 1 0 1 0 0 0 0 1 -1