36354 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 17 17 7 7 7 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 2 3 3 3 4 4 4 5 5 7 7 7 8 8 9 9 10 10 10 11 12 13 13 14 14 15 15 16 17 17 11 12 6 9 10 6 7 22 6 8 8 18 19 20 21 11 12 13 23 24 14 15 17 25 16 26 16 27 28 29 30 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 2 2 1 2 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 5.4641 2 3.732 4.7026 5.5116 4.5981 5.6808 6.1808 3.732 2.866 4.5981 2.866 2.866 4.5981 2.866 3.732 2 6.2472 5.4892 6.5956 6.6823 4.2418 2.2554 2.654 3.403 5.135 2.3291 3.732 2 1.4631 -0.5 -0.5 0.5 1.9945 0.5933 1 2.2024 1.3364 -0.5 1 -1 -1 2 -2 -2 -2.5 2.5 2.4546 2.7921 0.8757 1.7008 2.4094 1.1077 0.4174 2.31 -2.31 -2.31 -3.12 3.12 2.19 8 8 8 8 8 8 9 9 11 12 14 15 11 12 14 15 16 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 296 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 1 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 00000371C0730000060000000000000000000000000100000000300000000000000000010000001C0210000000080AC1102431C083C00000A00024426400820001210500098880084688886022C19B91D42008689002C8C8271000000000000000008000100000000001000020000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-allyl-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)-N-prop-2-enyl-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)-<I>N</I>-prop-2-enyl-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)-N-prop-2-enyl-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]-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 allyl-(2,6-dichlorophenyl)-(2-imidazolin-2-yl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H13Cl2N3/c1-2-8-17(12-15-6-7-16-12)11-9(13)4-3-5-10(11)14/h2-5H,1,6-8H2,(H,15,16) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OXTYVEUAQHPPMV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 269.0486528 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H13Cl2N3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 270.15 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C=CCN(C1=C(C=CC=C1Cl)Cl)C2=NCCN2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C=CCN(C1=C(C=CC=C1Cl)Cl)C2=NCCN2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 27.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 269.0486528 17 0 0 0 0 0 0 0 1 -1