49798928 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 17 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 5 6 6 7 7 7 8 8 9 9 10 10 11 11 12 12 13 14 15 16 16 17 17 18 18 18 19 20 21 23 23 24 24 25 25 26 22 15 21 14 7 12 13 8 14 30 13 19 8 9 27 28 29 10 11 16 31 17 32 19 33 34 15 20 22 35 22 36 20 21 23 37 38 24 25 39 26 40 26 41 42 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 2 2 1 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 7 4 8 9 27 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 12.2619 4.6783 6.7619 7.7619 6.7619 7.4255 8.2619 7.7619 9.2619 9.7619 9.7619 6.7674 8.1686 6.2619 5.2619 10.7619 10.7619 3.732 6.5594 4.6783 3.732 11.2619 2.866 2.866 2 2 7.6419 8.3445 7.6542 6.4519 9.4519 9.4519 6.3525 8.7751 11.0719 11.0719 5.993 4.8709 2.866 2.866 1.4631 1.4631 -0.1417 0.7856 2.4564 -1.0077 0.7244 -2.5904 -0.1417 0.7244 -0.1417 -1.0077 0.7244 -1.1122 -1.9212 1.5904 1.5904 -1.0077 0.7244 2.0904 -2.0904 2.3951 1.0904 -0.1417 2.5904 0.5904 2.0904 1.0904 -0.1417 0.9364 1.3349 0.1874 -1.5446 1.2613 -0.6515 -2.0502 -1.5446 1.2613 -2.3426 2.9844 3.2104 -0.0296 2.4004 0.7804 8 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 4 4 6 6 7 9 9 10 11 12 15 16 17 18 18 18 21 23 24 25 15 21 12 13 13 19 8 10 11 16 17 19 20 22 22 20 21 23 24 25 26 26 0 Compound Canonicalized 5 2010.09.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 484 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 1 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 00000371E07B300004000000000000000000000000016240000030600000000000004801FC00001E02100000000C2EC19A243D96D7CC1440A802B177740282882D3537A009C881DE3EC88E6E3285BF3F973928ECD61398A9A798DFA2EE04000000000800000800000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(4-chlorophenyl)-2-imidazol-1-yl-ethyl]benzofuran-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(4-chlorophenyl)-2-(1-imidazolyl)ethyl]-2-benzofurancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-1-benzofuran-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-1-benzofuran-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(4-chlorophenyl)-2-imidazol-1-yl-ethyl]-1-benzofuran-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(4-chlorophenyl)-2-imidazol-1-yl-ethyl]coumarilamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H16ClN3O2/c21-16-7-5-14(6-8-16)17(24-10-9-22-13-24)12-23-20(25)19-11-15-3-1-2-4-18(15)26-19/h1-11,13,17H,12H2,(H,23,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RVPUKSFQKZNXOL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 365.0931045 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H16ClN3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 365.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C=C(O2)C(=O)NCC(C3=CC=C(C=C3)Cl)N4C=CN=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C=C(O2)C(=O)NCC(C3=CC=C(C=C3)Cl)N4C=CN=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 60.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 365.0931045 26 1 0 1 0 0 0 0 1 -1