5419 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 7 7 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 3 4 4 4 5 5 5 6 6 7 7 7 8 10 10 11 11 11 12 12 13 13 14 14 15 9 11 23 9 12 4 6 9 16 5 17 18 7 19 20 8 10 8 21 22 13 14 26 12 24 25 27 28 15 29 15 30 31 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 3 4 6 9 16 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 3.675 2.057 2.866 2 2 3.732 2.866 3.732 2.866 4.626 3.366 2.366 4.626 5.5321 5.5321 2.3291 1.3894 1.788 1.788 1.3894 3.2646 2.4675 4.2647 3.3012 3.9725 4.6188 1.7596 2.4308 4.6188 6.0678 6.0678 -1.3357 -1.3357 0.2521 0.7521 1.7521 0.7521 2.2521 1.7521 -0.7479 0.2174 -2.2868 -2.2868 2.2868 0.7313 1.7729 -0.0579 0.8598 0.1695 2.3347 1.6444 2.727 2.727 -1.1441 -2.9034 -2.4157 -0.4025 -2.4157 -2.9034 2.9067 0.4192 2.085 3 8 8 8 8 8 8 3 6 6 8 10 13 14 9 8 10 13 14 15 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 259 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0730000000000000000000000000000000100000000306000000000000000C10000001C00100000000D00C11804310082C00000A002226224000200012000000988803800880860228099119420002090008888071080C00E80000000001000000000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-tetralin-1-yl-4,5-dihydro-1H-imidazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1<I>H</I>-imidazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-tetralin-1-yl-2-imidazoline InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BYJAVTDNIXVSPW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 200.131348519 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H16N2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 200.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC(C2=CC=CC=C2C1)C3=NCCN3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC(C2=CC=CC=C2C1)C3=NCCN3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 24.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 200.131348519 15 1 0 1 0 0 0 0 1 1