54459 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 8 8 7 7 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 2 2 3 3 3 4 4 5 5 5 7 7 8 8 8 9 9 10 10 11 12 12 13 13 14 14 15 5 10 7 11 6 8 21 6 9 6 7 16 17 18 9 19 20 22 23 11 12 13 14 24 15 25 15 26 27 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 5 1 6 7 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 4.666 4.666 7.3116 6.5026 5.5321 6.3981 5.5321 7.9808 7.4808 3.8 3.8 2.9061 2.9061 2 2 5.5321 6.1426 5.7441 8.4824 8.3956 7.4405 7.2892 8.0472 2.9132 2.9132 1.4643 1.4643 -0.4161 1.5839 -0.0094 -1.4106 0.0839 -0.4161 1.0839 -0.7525 -1.6186 0.0839 1.0839 -0.4508 1.6186 0.0631 1.1047 -0.5361 0.9762 1.6665 -1.117 -0.2918 0.5971 -2.2082 -1.8707 -1.0707 2.2385 -0.249 1.4168 3 8 8 8 8 8 8 5 10 10 11 12 13 14 6 11 12 13 14 15 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 267 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 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 00000371C0733000000000000000000000000000000100000000344000000000000000910000001E00100000000814E19006310682C00400A000226224040208012020000988803E88880F662284391A973822A6D0119AA8078040000000000000000040000000000000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2,3-dihydro-1,4-benzodioxin-3-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-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-imidazoline InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HPMRFMKYPGXPEP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 204.089877630 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H12N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 204.22 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN=C(N1)C2COC3=CC=CC=C3O2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN=C(N1)C2COC3=CC=CC=C3O2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 42.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 204.089877630 15 1 0 1 0 0 0 0 1 -1