21389 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 8 7 7 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 2 2 2 3 3 3 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 11 12 12 13 13 14 14 15 15 16 16 17 17 18 19 20 20 21 21 22 22 23 23 24 25 26 8 10 35 9 11 36 10 12 11 13 18 26 45 19 26 46 12 27 28 13 29 30 14 15 31 32 33 34 16 20 17 21 18 37 19 38 22 23 24 39 25 40 24 41 25 42 43 44 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 2 2 1 2 1 1 1 1 1 1 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 4.5981 5.5116 4.6551 4.7026 6.2731 2.866 3.732 6.1808 4.9641 4.5981 5.4641 5.6808 5.9641 3.732 5.4641 3.732 4.5981 2.866 4.5981 2.866 6.3301 2 5.4641 2 6.3301 3.732 6.6823 6.5956 5.0289 4.3576 5.4892 6.2472 6.5706 5.8993 5.6405 4.0654 4.269 4.0611 2.866 6.8671 1.4631 5.4641 1.4631 6.8671 2.3291 3.1951 -0.9182 -3.5115 4.1696 -4.9127 4.1696 -0.9182 0.5818 -4.2546 5.1206 -3.9182 3.5818 -5.1206 5.1206 -3.4182 2.5818 -2.4182 2.0818 -1.9182 1.0818 -3.9182 2.0818 -2.4182 0.5818 -3.4182 1.0818 -0.4182 -4.619 -3.7939 5.7372 5.2495 -5.7103 -5.3728 5.2495 5.7372 -2.905 3.978 -2.1082 2.3918 -4.5382 2.3918 -2.1082 -0.0382 -3.7282 0.7718 -0.6082 0.8918 8 8 8 8 8 8 8 8 8 8 8 8 14 14 15 15 16 17 18 19 20 21 22 23 16 20 17 21 18 19 22 23 24 25 24 25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 526 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BA000000000000000000000000000000102000000306000000000000000014000001E00100000000C08C1180431C082C00000A802266274008200012102000988802864988860A2C09991942008689402C8C8271080000E00000040000000000000008000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3-bis[3-(4,5-dihydro-1<I>H</I>-imidazol-2-yl)phenyl]urea IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3-bis[3-(2-imidazolin-2-yl)phenyl]urea InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H20N6O/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 SCEVFJUWLLRELN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 348.16985928 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H20N6O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 348.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 89.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 348.16985928 26 0 0 0 0 0 0 0 1 -1