63083973 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 8 7 7 7 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 2 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 7 9 9 9 10 10 10 11 12 12 13 14 14 15 15 16 16 17 17 18 19 19 20 11 20 5 6 23 8 12 32 8 13 7 9 21 8 10 22 11 24 25 26 27 28 29 30 31 14 13 15 16 19 33 17 34 18 35 18 36 37 20 38 39 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 2 1 1 2 1 1 5 2 7 9 21 3 1 6 2 8 10 22 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 32 33 34 35 36 37 38 39 9.8497 6.7619 4.6783 4.6783 7.7619 6.2619 8.2619 5.2619 8.2619 6.7619 9.2619 3.732 3.732 9.8497 2.866 2.866 2 2 10.8007 10.8007 7.4519 5.9519 6.4519 7.6793 8.3695 8.7988 8.5719 7.7249 7.2988 7.0719 6.2249 4.8709 9.6581 2.866 2.866 1.4631 1.4631 11.3023 11.3023 -1.9676 -0.2925 1.3782 -0.2312 -0.2925 0.5735 -1.1585 0.5735 0.5735 1.4395 -1.1585 1.0735 0.0735 -0.3495 1.5735 -0.4265 1.0735 0.0735 -0.6585 -1.6585 0.2444 0.0366 -0.8295 -1.3706 -1.7691 0.2635 1.1104 0.8835 1.1295 1.9765 1.7495 1.9676 0.2401 2.1935 -1.0465 1.3835 -0.2365 -0.2941 -2.023 8 8 8 8 8 8 3 3 8 8 8 8 8 8 8 8 8 1 1 3 3 4 4 5 6 11 12 12 13 14 15 16 17 19 11 20 8 12 8 13 9 10 14 13 15 16 19 17 18 18 20 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 312 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B200000000000000000000000000000016240000030000000000000005801FC00001E0010000000082CE1970633D4B6C99440A801AE72E40082882DA532A00999A13E7CD88C6EBAC4BD9B963928EED013C8E9A798C8208000000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(2-furyl)propan-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(2-furanyl)-2-propanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[1-(1<I>H</I>-benzimidazol-2-yl)ethyl]-1-(furan-2-yl)propan-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(furan-2-yl)propan-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(furan-2-yl)propan-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(1H-benzimidazol-2-yl)ethyl-[2-(2-furyl)-1-methyl-ethyl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H19N3O/c1-11(10-13-6-5-9-20-13)17-12(2)16-18-14-7-3-4-8-15(14)19-16/h3-9,11-12,17H,10H2,1-2H3,(H,18,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 DXWJOVUYAWFTPI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 269.152812238 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H19N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 269.34 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(CC1=CC=CO1)NC(C)C2=NC3=CC=CC=C3N2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(CC1=CC=CO1)NC(C)C2=NC3=CC=CC=C3N2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 53.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 269.152812238 20 2 0 2 0 0 0 0 1 -1