11277418 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 17 8 7 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 2 3 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 12 12 14 14 15 15 16 16 17 17 18 18 19 13 6 7 11 12 13 14 11 13 8 20 21 9 22 23 10 24 25 10 26 27 28 29 12 30 31 15 16 17 32 18 33 19 34 19 35 1 2 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 2 1 2 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 4.6701 6.4302 3.5823 4.6701 5.1701 3.989 2.5878 3.4013 2 2.4067 4.1701 3.8611 5.4791 4.6701 3.8041 5.5361 3.8041 5.5361 4.6701 4.503 4.4197 2.0305 2.7587 3.9585 3.2304 1.486 1.5693 2.45 1.8052 3.2947 3.5511 3.2671 6.073 3.2671 6.073 -4.0352 0.2436 2.3126 -0.0352 1.5036 3.2262 2.2081 4.0352 3.0171 3.9307 1.5036 0.5526 0.5526 -1.0352 -1.5352 -1.5352 -2.5352 -2.5352 -3.0352 2.8795 3.6722 1.9363 1.6121 4.307 4.6312 3.3638 2.5712 4.5492 4.0807 0.8048 0.0156 -1.2252 -1.2252 -2.8452 -2.8452 8 8 8 8 8 8 14 14 15 16 17 18 15 16 17 18 19 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 371 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07320000400000000000000000000000001000000003C4000000000000000010000001E0200000000080AC1102431C083000000A80026627400820001210700098800186688886022C19B91942008608602C8C8271000000000004000000000000000800000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(4-chlorophenyl)-5-(1-piperidyl)-4H-imidazol-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(4-chlorophenyl)-5-(1-piperidinyl)-4H-imidazol-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(4-chlorophenyl)-5-piperidin-1-yl-4<I>H</I>-imidazol-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(4-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(4-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)-4-piperidino-3-imidazolin-2-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H16ClN3O/c15-11-4-6-12(7-5-11)18-10-13(16-14(18)19)17-8-2-1-3-9-17/h4-7H,1-3,8-10H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YGXIELIREXEJQN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 277.0981898 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H16ClN3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 277.75 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCN(CC1)C2=NC(=O)N(C2)C3=CC=C(C=C3)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCN(CC1)C2=NC(=O)N(C2)C3=CC=C(C=C3)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 35.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 277.0981898 19 0 0 0 0 0 0 0 1 -1