4975874 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 8 8 7 7 7 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 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 17 18 19 19 20 21 21 21 22 22 23 23 24 13 20 24 6 13 33 8 11 34 8 12 7 8 25 9 10 26 27 28 29 30 31 32 12 14 15 16 17 35 18 36 19 37 18 38 39 20 21 22 40 41 42 23 43 24 44 45 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 2 1 1 1 1 2 1 1 1 1 1 2 1 1 6 3 7 8 25 3 1 16 13 37 19 20 21 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 40 41 42 43 44 45 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 8.2619 2 2 9.2619 9.7619 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 7.9519 1.4631 1.4631 10.2988 10.0719 9.2249 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 -0.5077 1.7244 0.7244 -0.5077 -1.3737 0.3583 -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 -1.0446 2.0344 0.4144 0.0483 0.8953 0.6683 -2.4162 -3.573 -2.7086 8 8 8 8 8 8 3 8 8 8 8 8 1 8 8 8 8 2 2 4 4 5 5 6 11 11 12 14 15 16 17 20 22 23 20 24 8 11 8 12 7 12 14 15 17 18 19 18 22 23 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 477 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 00000371E07B300000000000000000000000000000016240000030000000000000005801FC00001E00100000000D2CE1970633D4B6C99440A803AF72F40082882DA532A00999A13E7CD88C6EB2C4BD9B963928ECD613C8E9A79848000800000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-3-(2-furyl)but-2-enamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(2-furanyl)-2-butenamide 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)-2-methylpropyl]-3-(furan-2-yl)but-2-enamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(furan-2-yl)but-2-enamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-3-(furan-2-yl)but-2-enamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-3-(2-furyl)but-2-enamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H21N3O2/c1-12(2)18(19-20-14-7-4-5-8-15(14)21-19)22-17(23)11-13(3)16-9-6-10-24-16/h4-12,18H,1-3H3,(H,20,21)(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OQWXBIHAHKGSLE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.16337692 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H21N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)C(C1=NC2=CC=CC=C2N1)NC(=O)C=C(C)C3=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(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 2021.05.07 323.16337692 24 1 0 1 1 0 1 0 1 -1