53383494 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 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 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 9 9 10 10 11 12 13 13 14 15 16 16 17 17 18 18 19 19 20 20 21 22 22 23 23 24 24 25 25 26 27 28 28 29 30 30 31 31 32 11 21 32 7 10 11 8 13 34 8 14 12 15 8 9 33 16 17 12 18 15 19 14 20 22 21 24 35 25 36 23 37 26 38 28 39 30 29 40 26 41 27 42 27 43 44 45 29 46 47 31 48 32 49 50 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 2 1 2 1 2 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 7 3 8 9 33 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 6.3981 6.5026 4.666 5.6351 6.4398 4.666 4.666 5.5321 3.8 3.8 5.5321 3.8 6.6069 7.1069 5.5321 2.934 3.8 2.9061 2.9061 7.1069 6.3981 8.1069 2 2.068 2.934 2 2.068 8.1069 8.6069 7.3116 7.9808 7.4808 5.203 5.1736 2.934 4.3369 2.9132 2.9132 6.7969 8.4169 1.4643 1.531 2.934 1.4643 1.531 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 -2.5172 -1.6511 1.6808 -0.8192 -2.3192 0.1461 2.2154 -3.3832 2.1808 -1.6511 0.6599 -1.3192 -2.8192 1.7016 -2.3192 -3.3832 -2.5172 1.774 2.5172 3.3832 -0.5092 -2.722 -0.1992 -2.6292 -0.4739 2.8354 -3.9201 -1.1142 0.3479 -1.0092 -3.4392 2.0136 -2.6292 -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 8 8 8 8 8 8 2 2 3 3 4 4 5 5 6 6 7 9 9 10 10 11 12 13 13 14 16 17 18 19 20 21 22 23 24 25 28 30 31 21 32 10 11 8 13 8 14 12 15 9 16 17 12 18 15 19 14 20 22 24 25 23 26 28 30 29 26 27 27 29 31 32 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 721 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 00000371E07BB0000000000000000000000000000001624000003060C100000000005881FC00001E00100000000C2CE19F0631D4B7C99440A803AF72F40482882DA532A00999213E7CD88C6EBECCBD9B963928EEF613C8E9A798C8800E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[1H-benzimidazol-2-yl(phenyl)methyl]-3-(2-furyl)quinoxalin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[1H-benzimidazol-2-yl(phenyl)methyl]-3-(2-furanyl)-2-quinoxalinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[1<I>H</I>-benzimidazol-2-yl(phenyl)methyl]-3-(furan-2-yl)quinoxalin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[1H-benzimidazol-2-yl(phenyl)methyl]-3-(furan-2-yl)quinoxalin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[1H-benzimidazol-2-yl(phenyl)methyl]-3-(furan-2-yl)quinoxalin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[1H-benzimidazol-2-yl(phenyl)methyl]-3-(2-furyl)quinoxalin-2-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C26H18N4O2/c31-26-23(22-15-8-16-32-22)27-20-13-6-7-14-21(20)30(26)24(17-9-2-1-3-10-17)25-28-18-11-4-5-12-19(18)29-25/h1-16,24H,(H,28,29) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QSZPNIGPXGQTSF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 418.14297583 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C26H18N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 418.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2)N4C5=CC=CC=C5N=C(C4=O)C6=CC=CO6 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2)N4C5=CC=CC=C5N=C(C4=O)C6=CC=CO6 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 2021.05.07 418.14297583 32 1 0 1 0 0 0 0 1 -1