51158111 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 8 8 7 7 7 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 2 2 3 3 3 4 4 4 5 5 6 6 6 7 7 7 9 9 9 10 10 10 11 11 12 13 14 14 15 15 16 16 17 18 18 19 19 20 21 21 22 22 23 13 20 23 6 13 32 8 11 33 8 12 7 8 24 9 10 25 26 27 28 29 30 31 12 14 15 18 16 34 17 35 17 36 37 19 38 20 39 21 22 40 23 41 42 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 2 1 1 6 3 7 8 24 3 1 18 13 38 19 39 20 2 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 8.2619 10.7564 6.7619 4.6783 4.6783 6.2619 6.7619 5.2619 7.7619 6.2619 3.732 3.732 7.7619 2.866 2.866 2 2 8.2619 9.2619 9.7619 9.3551 10.0983 10.9643 5.9519 6.1419 7.7619 8.3819 7.7619 6.7988 5.9519 5.7249 6.4519 4.8709 2.866 2.866 1.4631 1.4631 7.9519 9.5719 8.7487 10.0335 11.5307 1.2244 -1.4782 0.3583 2.0291 0.4196 1.2244 2.0904 1.2244 2.0904 2.9564 1.7244 0.7244 0.3583 2.2244 0.2244 1.7244 0.7244 -0.5077 -0.5077 -1.3737 -2.2873 -2.9564 -2.4564 0.6874 2.0904 1.4704 2.0904 2.7104 3.2664 3.4933 2.6464 -0.1786 2.6184 2.8444 -0.3956 2.0344 0.4144 -1.0446 0.0292 -2.4162 -3.573 -2.7086 8 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 2 2 4 4 5 5 6 11 11 12 14 15 16 20 21 22 20 23 8 11 8 12 7 12 14 15 16 17 17 21 22 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 438 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 00000371E07B300000000000000000000000000000016240000030000000000000005801FC00001E00100000000D2CE1970633D4B6C99440A801AF72F40082882DA532A00999A13E7CD88C6EB2C4BD9B963928ECD613C8E9A79800000800000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N-[1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-3-(2-furyl)prop-2-enamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(2-furanyl)-2-propenamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (<I>E</I>)-<I>N</I>-[1-(1<I>H</I>-benzimidazol-2-yl)-2-methylpropyl]-3-(furan-2-yl)prop-2-enamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(furan-2-yl)prop-2-enamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N-[1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-3-(furan-2-yl)prop-2-enamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N-[1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-3-(2-furyl)acrylamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H19N3O2/c1-12(2)17(18-19-14-7-3-4-8-15(14)20-18)21-16(22)10-9-13-6-5-11-23-13/h3-12,17H,1-2H3,(H,19,20)(H,21,22)/b10-9+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OEFNEVLCICHTOJ-MDZDMXLPSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 309.147726857 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H19N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 309.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)C(C1=NC2=CC=CC=C2N1)NC(=O)C=CC3=CC=CO3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)C(C1=NC2=CC=CC=C2N1)NC(=O)/C=C/C3=CC=CO3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 70.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 309.147726857 23 1 0 1 1 1 0 0 1 -1