39974 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 17 16 7 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 5 5 6 6 6 7 7 9 9 10 10 12 13 13 13 11 11 12 6 8 18 8 9 19 7 8 7 14 15 16 17 10 11 12 13 20 21 22 23 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 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 5.5202 4.2601 4.7306 3.7601 5.5396 5.7088 6.2088 4.6261 3.7601 2.9511 4.5691 3.2601 2 6.2752 5.5172 6.6236 6.7104 4.2699 3.2231 2.8956 2.1916 1.4103 1.8084 -0.964 -2.2241 1.8092 0.3147 0.408 2.0172 1.1511 0.8147 -0.6853 -1.2731 -1.2731 -2.2241 -0.964 2.2693 2.6068 0.6904 1.5156 2.2241 0.6247 -2.7257 -0.3744 -0.7724 -1.5537 8 8 8 8 8 2 2 9 9 10 11 12 10 11 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 221 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 00000371C0730000440000000000000000000000000122000000000000000000000000018000001C06100000000C0AC55824A3C182C00008A40204426400830081210C10018894084688886000610B0054000C0810026000200000000800000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-chloro-4-methyl-3-thienyl)-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-chloro-4-methyl-3-thiophenyl)-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-chloro-4-methylthiophen-3-yl)-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-chloro-4-methylthiophen-3-yl)-4,5-dihydro-1H-imidazol-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-chloranyl-4-methyl-thiophen-3-yl)-4,5-dihydro-1H-imidazol-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-chloro-4-methyl-3-thienyl)-(2-imidazolin-2-yl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C8H10ClN3S/c1-5-4-13-7(9)6(5)12-8-10-2-3-11-8/h4H,2-3H2,1H3,(H2,10,11,12) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CVWILQHZFWRYPB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 215.0283962 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C8H10ClN3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 215.70 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CSC(=C1NC2=NCCN2)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CSC(=C1NC2=NCCN2)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 64.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 215.0283962 13 0 0 0 0 0 0 0 1 -1