53383517 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 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 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 5 5 6 6 7 7 7 8 8 8 10 10 11 12 13 13 13 14 14 15 16 17 17 18 18 19 19 20 21 21 22 22 23 24 24 25 26 26 27 27 28 11 20 28 7 10 11 9 14 32 9 15 12 16 8 9 29 13 30 31 12 17 16 18 33 34 35 15 19 21 20 22 36 23 37 24 38 26 25 39 23 40 41 25 42 43 27 44 28 45 46 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 2 1 1 7 3 8 9 29 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 6.3981 6.5026 4.666 5.6351 6.4398 4.666 4.666 3.8 5.5321 3.8 5.5321 3.8 3.8 6.6069 7.1069 5.5321 2.9061 2.9061 7.1069 6.3981 8.1069 2 2 8.1069 8.6069 7.3116 7.9808 7.4808 4.1291 3.588 3.1894 5.1736 3.18 3.8 4.42 2.9132 2.9132 6.7969 8.4169 1.4643 1.4643 8.4169 9.2269 7.4405 8.5974 7.7329 0.1808 3.1753 0.1808 -2.308 -0.9141 2.1808 -0.8192 -1.3192 -1.3192 0.6808 0.6808 1.6808 -2.3192 -2.5172 -1.6511 1.6808 0.1461 2.2154 -3.3832 2.1808 -1.6511 0.6599 1.7016 -3.3832 -2.5172 1.774 2.5172 3.3832 -0.5092 -0.7366 -1.4269 -2.722 -2.3192 -2.9392 -2.3192 -0.4739 2.8354 -3.9201 -1.1142 0.3479 2.0136 -3.9201 -2.5172 1.1676 2.4524 3.9496 8 8 8 8 8 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 4 5 5 6 6 7 10 10 11 12 14 14 15 17 18 19 20 21 22 24 26 27 20 28 10 11 9 14 9 15 12 16 8 12 17 16 18 15 19 21 22 23 24 26 25 23 25 27 28 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 624 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB00000000000000000000000000000016240000030608000000000005881FC00001E0010000000082CE1970633D4B7C99440A801AF72F40482882DA532A00999213E7CD88C6EBECCBD9B963928EEF613C8E9A79848000000000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[1-(1H-benzimidazol-2-yl)propyl]-3-(2-furyl)quinoxalin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[1-(1H-benzimidazol-2-yl)propyl]-3-(2-furanyl)-2-quinoxalinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[1-(1<I>H</I>-benzimidazol-2-yl)propyl]-3-(furan-2-yl)quinoxalin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[1-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)quinoxalin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[1-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)quinoxalin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[1-(1H-benzimidazol-2-yl)propyl]-3-(2-furyl)quinoxalin-2-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H18N4O2/c1-2-17(21-24-14-8-3-4-9-15(14)25-21)26-18-11-6-5-10-16(18)23-20(22(26)27)19-12-7-13-28-19/h3-13,17H,2H2,1H3,(H,24,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NHWIYXNGWYWBAJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 370.14297583 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H18N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 370.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC(C1=NC2=CC=CC=C2N1)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC(C1=NC2=CC=CC=C2N1)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 74.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 370.14297583 28 1 0 1 0 0 0 0 1 -1