2435 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 35 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 5 5 6 6 7 7 7 8 8 10 10 11 12 13 13 14 15 16 16 17 11 7 9 22 9 10 23 8 9 12 16 14 17 8 18 19 20 21 11 13 12 14 15 24 15 25 17 26 27 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 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 6.1808 2.6691 4.4487 3.4782 7.9407 7.9407 2 2.5 3.5827 5.3147 6.1808 7.0468 5.3147 7.0468 6.1808 8.8468 8.8468 1.4984 1.5851 2.6916 1.9336 2.5402 4.4487 4.7778 6.1808 9.3825 9.3825 -1.5173 -0.4241 -0.5173 0.9772 -0.552 1.5173 0.3191 1.1851 -0.0173 -0.0173 -0.5173 -0.0173 0.9827 0.9827 1.4827 -0.0381 1.0035 0.6835 -0.1417 1.7748 1.4373 -1.0305 -1.1373 1.2927 2.1027 -0.3502 1.3156 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 10 10 11 12 13 14 16 12 16 14 17 11 13 12 14 15 15 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 308 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07380000010000000000000000000000001000000003C4000000000000000B1F000001C0050000001A808C116043DC0B2C81000A0013467640082802531122409D8A03874B88860E2C0D8D1942408689002C8CA37100000000000800005000028000100000A000050000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-quinoxalinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-bromo-<I>N</I>-(4,5-dihydro-1<I>H</I>-imidazol-2-yl)quinoxalin-6-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-bromanyl-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (5-bromoquinoxalin-6-yl)-(2-imidazolin-2-yl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XYLJNLCSTIOKRM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 291.01196 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H10BrN5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 292.13 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 62.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 291.01196 17 0 0 0 0 0 0 0 1 4