49792726 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 46 47 48 49 50 8 7 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 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 6 6 6 6 7 7 7 8 8 9 9 10 10 10 12 12 12 13 13 14 14 14 15 15 16 16 17 17 17 18 18 19 19 21 21 21 22 22 23 24 11 8 9 12 11 14 36 20 22 23 23 24 7 8 10 11 9 25 26 27 28 29 30 31 32 33 13 34 35 15 16 17 37 38 18 39 19 40 21 41 42 20 43 20 44 45 46 47 24 48 49 50 2 1 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 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 6 7 8 10 11 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 46 47 48 49 50 5.4641 7.4128 4.5981 8.2788 7.7788 6.3301 5.8301 7.3083 6.4993 6.538 5.4641 8.2788 8.2788 3.732 7.4128 9.1448 2.866 7.4128 9.1448 8.2788 2 9.0878 7.4698 8.7788 5.4153 5.3285 7.3731 7.9283 6.8093 5.9977 5.9316 6.6669 7.1445 8.4909 8.8894 4.5981 3.3335 4.1306 6.8759 9.6818 3.2646 2.4675 6.8759 9.6818 1.69 1.4631 2.31 9.6775 6.8802 9.1433 -4.3706 -1.6682 -2.8706 2.8318 4.3706 -2.8706 -2.0046 -2.6627 -1.2615 -3.8488 -3.3706 -1.1682 -0.1682 -3.3706 0.3318 0.3318 -2.8706 1.3318 1.3318 1.8318 -3.3706 3.4196 3.4196 4.3706 -1.5439 -2.369 -3.2793 -2.6627 -0.7245 -0.897 -3.9777 -4.4552 -3.7199 -1.7508 -1.0605 -2.2506 -3.8456 -3.8456 0.0218 0.0218 -2.3957 -2.3957 1.6418 1.6418 -2.8337 -3.6806 -3.9076 3.228 3.228 4.8722 8 8 8 8 3 8 8 8 8 8 8 8 4 4 5 5 6 13 13 15 16 18 19 22 22 23 23 24 10 15 16 18 19 20 20 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 422 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BA000000000000000000000000000000162C0000030000000000000000001C000001E00100000000E08C19A043FD097CC1000A8023577740082802D3112A009C88118748888687AC0D991942008689602C8C8271480000F08000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-N-propyl-pyrrolidine-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[[4-(1-imidazolyl)phenyl]methyl]-3-methyl-N-propyl-3-pyrrolidinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-<I>N</I>-propylpyrrolidine-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-N-propyl-pyrrolidine-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-imidazol-1-ylbenzyl)-3-methyl-N-propyl-pyrrolidine-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H26N4O/c1-3-9-21-18(24)19(2)8-11-22(14-19)13-16-4-6-17(7-5-16)23-12-10-20-15-23/h4-7,10,12,15H,3,8-9,11,13-14H2,1-2H3,(H,21,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LDYBYZOUMULULX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 326.21066147 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H26N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 326.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCNC(=O)C1(CCN(C1)CC2=CC=C(C=C2)N3C=CN=C3)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCNC(=O)C1(CCN(C1)CC2=CC=C(C=C2)N3C=CN=C3)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 50.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 326.21066147 24 1 0 1 0 0 0 0 1 -1