2765 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 8 7 7 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 2 2 2 3 3 4 4 4 4 5 5 5 6 6 7 7 8 9 9 10 10 11 11 12 12 12 13 15 15 15 16 16 8 12 14 15 32 14 16 5 6 7 17 6 18 19 20 21 8 9 10 11 22 13 23 13 24 14 25 26 27 16 28 29 30 31 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 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 31 32 5.3147 2.6691 3.4782 7.0468 7.5468 6.5468 7.0468 6.1808 7.9128 6.1808 7.9128 4.4487 7.0468 3.5827 2 2.5 7.6456 8.1294 7.6544 6.4391 5.9642 8.4497 5.6438 8.4497 4.0502 4.8472 7.0468 1.4984 1.5851 2.6916 1.9336 2.5402 0.067 -0.3397 1.0615 1.067 1.933 1.933 0.067 -0.433 -0.433 -1.433 -1.433 -0.433 -1.933 0.067 0.4034 1.2694 0.9065 1.721 2.5436 2.5436 1.721 -0.123 -1.743 -1.743 -0.908 -0.908 -2.553 0.7678 -0.0574 1.8591 1.5216 -0.9462 8 8 8 8 8 8 7 7 8 9 10 11 8 9 10 11 13 13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 273 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 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 00000371E0732000000000000000000000001800000100000000300000000000000000010000001E00100000000D04E19806310682C00400A002226224040208012020000988801E08880E662284391A933820A4D01198A80780C0E00E80000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1<I>H</I>-imidazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(2-cyclopropylphenoxy)methyl]-2-imidazoline InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YAORIDZYZDUZCM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 216.126263138 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H16N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 216.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC1C2=CC=CC=C2OCC3=NCCN3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC1C2=CC=CC=C2OCC3=NCCN3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 33.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 216.126263138 16 0 0 0 0 0 0 0 1 -1