55898363 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 51 52 8 8 8 7 7 7 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 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 5 5 6 6 7 7 7 8 8 9 10 11 11 11 13 13 13 14 14 15 15 16 16 17 17 17 18 18 19 19 19 20 21 21 22 23 23 24 24 25 25 26 27 27 27 16 21 12 22 27 7 8 9 12 13 19 9 10 12 28 29 10 14 11 15 17 30 31 16 32 33 18 34 20 35 36 37 38 39 40 20 41 42 43 44 45 22 23 24 25 46 26 47 26 48 49 50 51 52 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 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 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 8.5458 6.6353 10.5028 4.6783 6.2781 4.6783 4.9889 3.732 5.2619 3.732 6.2619 5.9674 7.2566 2.866 2.866 7.5673 6.7619 2 5.6103 2 8.8564 9.8349 8.1886 10.1456 8.4993 9.4778 11.4813 4.9684 4.3751 6.8445 6.1542 7.2772 7.8704 2.866 2.866 7.5467 6.9534 6.2249 7.0719 7.2988 1.4631 6.0717 5.1962 5.1488 1.4631 7.5819 10.7523 8.0852 9.6704 11.6091 12.088 11.3534 1.2117 -1.8461 1.6241 -2.2585 -0.1513 -3.868 -1.308 -2.5633 -3.0633 -3.5633 -3.0633 -1.1018 0.055 -2.0633 -4.0633 1.0055 -3.9293 -2.5633 0.593 -3.5633 2.1622 2.3684 2.9065 3.319 3.857 4.0633 1.8304 -0.6883 -1.2206 -2.8512 -2.4527 -0.5647 -0.0324 -1.4433 -4.6833 1.6251 1.0928 -4.2393 -4.4662 -3.6193 -2.2533 1.0071 1.0545 0.179 -3.8733 2.7787 3.4468 4.3185 4.6526 1.2237 1.9582 2.437 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 8 8 10 14 15 18 21 21 22 23 24 25 8 9 9 10 10 14 15 18 20 20 22 23 24 25 26 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 476 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B300000000000000000000000000000016000000030600000000000005801F400001E0000000000080CE1970633D6B70C1400A8012772740082882D2132A009D820BEFC988F6EA2C4B9BB97382AECC613DAE8279040000000000000000040200000000000008040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-ethylbenzimidazol-1-yl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-ethyl-1-benzimidazolyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-ethylbenzimidazol-1-yl)-<I>N</I>-[2-(2-methoxyphenoxy)ethyl]-<I>N</I>-methylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-ethylbenzimidazol-1-yl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-ethylbenzimidazol-1-yl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-ethylbenzimidazol-1-yl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H25N3O3/c1-4-20-22-16-9-5-6-10-17(16)24(20)15-21(25)23(2)13-14-27-19-12-8-7-11-18(19)26-3/h5-12H,4,13-15H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HMWNPHLENHDYCW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.18959167 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H25N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC1=NC2=CC=CC=C2N1CC(=O)N(C)CCOC3=CC=CC=C3OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC1=NC2=CC=CC=C2N1CC(=O)N(C)CCOC3=CC=CC=C3OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 56.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.18959167 27 0 0 0 0 0 0 0 1 -1