70701947 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 8 8 8 7 7 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 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 11 11 12 12 13 14 14 16 16 16 17 17 17 18 18 18 19 19 19 13 16 10 15 19 6 10 25 8 10 26 7 8 20 9 21 22 23 24 11 12 13 27 14 28 15 15 29 17 30 31 18 32 33 34 35 36 37 38 39 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 4 7 8 20 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 4.5981 5.2423 2.866 5.5211 6.8301 6.3301 6.3301 7.1391 5.4641 5.8301 5.4641 4.5981 4.5981 3.732 3.732 5.4641 5.4641 6.3301 2 5.7777 6.9407 6.5422 7.7055 7.4491 4.9315 7.1946 6.001 4.5981 3.1951 5.6762 6.0747 5.252 4.8535 6.6401 6.8671 6.0201 1.69 1.4631 2.31 2.1739 -4.1739 1.1739 -2.4139 -3.3649 -1.8261 -0.8261 -2.4139 -0.3261 -3.3649 0.6739 -0.8261 1.1739 -0.3261 0.6739 2.6739 3.6739 4.1739 0.6739 -1.5446 -0.9337 -0.2435 -2.666 -1.8769 -2.2223 -3.8665 0.9839 -1.4461 -0.6361 2.0913 2.7816 4.2565 3.5663 3.637 4.4839 4.7109 1.2109 0.3639 0.137 3 8 8 8 8 8 8 6 9 9 11 12 13 14 7 11 12 13 14 15 15 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 298 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E0733000000000000000000000000000000160000000300000000000000000010000001E00100000000C2CE19806330682C004008802204210000208002020000888800E88888D662284B11B963822ACD6130AA80790D0B30E20000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(4-methoxy-3-propoxy-phenyl)methyl]imidazolidin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(4-methoxy-3-propoxyphenyl)methyl]-2-imidazolidinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(4-methoxy-3-propoxyphenyl)methyl]imidazolidin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(4-methoxy-3-propoxyphenyl)methyl]imidazolidin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(4-methoxy-3-propoxy-phenyl)methyl]imidazolidin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(4-methoxy-3-propoxy-benzyl)-2-imidazolidinone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H20N2O3/c1-3-6-19-13-8-10(4-5-12(13)18-2)7-11-9-15-14(17)16-11/h4-5,8,11H,3,6-7,9H2,1-2H3,(H2,15,16,17) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PMTHVGDMNMTSTC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 264.14739250 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H20N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 264.32 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCOC1=C(C=CC(=C1)CC2CNC(=O)N2)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCOC1=C(C=CC(=C1)CC2CNC(=O)N2)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 59.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 264.14739250 19 1 0 1 0 0 0 0 1 -1