666838 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 7 7 7 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 2 2 3 3 3 4 5 5 6 6 6 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 14 15 16 17 17 18 19 19 19 20 20 20 4 5 6 4 7 13 19 20 8 7 9 14 21 22 12 10 11 17 23 15 24 16 25 18 26 15 16 27 28 29 30 31 18 32 33 34 35 36 37 38 39 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 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 4.6783 4.6783 9.2619 5.2619 3.732 4.9889 3.732 6.2619 2.866 6.7619 6.7619 2.866 8.2619 4.3211 7.7619 7.7619 2 2 9.7619 9.7619 5.5359 5.3715 2.866 6.4519 6.4519 2.866 4.7826 3.907 3.8596 8.0719 8.0719 1.4631 1.4631 9.2249 10.0719 10.2988 10.2988 10.0719 9.2249 0.055 -1.5545 -0.7498 -0.7498 -0.2498 1.0055 -1.2498 -0.7498 0.2502 0.1162 -1.6158 -1.7498 -0.7498 1.7498 0.1162 -1.6158 -0.2498 -1.2498 -1.6158 0.1162 0.7135 1.4934 0.8702 0.6532 -2.1527 -2.3698 2.1638 2.2112 1.3357 0.6532 -2.1527 0.0602 -1.5598 -1.9258 -2.1527 -1.3058 -0.1938 0.6532 0.4262 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 5 5 7 8 8 9 10 11 12 13 13 17 4 5 4 7 7 9 12 10 11 17 15 16 18 15 16 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 309 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B000000000000000000000000000000016000000030600000000000005801F400001C00000000000C08C11F0433D0B70C1000A0032662640082802D2112A009D8203874988868A2C09991942008688002C8C8271080000E08000000000000201000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(1-ethylbenzimidazol-2-yl)-N,N-dimethyl-aniline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(1-ethyl-2-benzimidazolyl)-N,N-dimethylaniline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(1-ethylbenzimidazol-2-yl)-<I>N</I>,<I>N</I>-dimethylaniline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(1-ethylbenzimidazol-2-yl)-N,N-dimethylaniline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(1-ethylbenzimidazol-2-yl)-N,N-dimethyl-aniline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [4-(1-ethylbenzimidazol-2-yl)phenyl]-dimethyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H19N3/c1-4-20-16-8-6-5-7-15(16)18-17(20)13-9-11-14(12-10-13)19(2)3/h5-12H,4H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KQERGFGNNIWLDR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 265.157897619 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H19N3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 265.35 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)N(C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)N(C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 21.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 265.157897619 20 0 0 0 0 0 0 0 1 -1