2803 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 17 17 7 7 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 6 6 6 7 7 9 9 10 11 12 12 13 13 14 10 11 6 8 19 8 9 20 7 8 7 15 16 17 18 10 11 12 13 14 21 14 22 23 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 2 2 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 5.4641 2 4.7026 3.732 5.5116 5.6808 6.1808 4.5981 3.732 4.5981 2.866 4.5981 2.866 3.732 6.2472 5.4892 6.5956 6.6823 4.2418 3.1951 5.135 2.3291 3.732 -0.4547 -0.4547 2.0398 0.5453 0.6386 2.2477 1.3817 1.0453 -0.4547 -0.9547 -0.9547 -1.9547 -1.9547 -2.4547 2.4999 2.8374 0.921 1.7461 2.4547 0.8553 -2.2647 -2.2647 -3.0747 8 8 8 8 8 8 9 9 10 11 12 13 10 11 12 13 14 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 222 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 2 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 00000371C0730000060000000000000000000000000100000000300000000000000000010000001C0210000000080AC1102431C082C00000A00024426400820001210500098880084688886022C19B91D4200868900248C8271000000000000000008000100000000001000020000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(2,6-dichlorophenyl)-4,5-dihydro-1<I>H</I>-imidazol-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2,6-bis(chloranyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2,6-dichlorophenyl)-(2-imidazolin-2-yl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GJSURZIOUXUGAL-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 229.0173527 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C9H9Cl2N3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 230.09 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN=C(N1)NC2=C(C=CC=C2Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN=C(N1)NC2=C(C=CC=C2Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 36.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 229.0173527 14 0 0 0 0 0 0 0 1 -1