52464389 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 36 37 38 39 40 41 42 43 44 17 8 8 8 7 7 6 6 6 6 6 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 1 1 1 2 2 3 4 4 5 5 5 6 6 7 7 8 9 10 10 10 11 11 11 12 12 13 13 14 14 14 16 16 17 18 18 18 19 19 20 20 21 21 22 22 23 23 24 24 25 15 18 15 19 20 7 8 10 8 9 9 12 11 13 15 26 27 14 28 29 16 30 17 31 32 33 34 17 35 36 19 37 38 39 40 21 22 23 41 24 42 25 43 25 44 1 1 1 2 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 36 37 38 39 40 41 42 43 44 9.7884 6.2781 6.6353 8.5458 4.6783 4.6783 3.732 5.2619 3.732 4.9889 6.2619 2.866 2.866 6.7619 5.9674 2 2 7.2566 7.5673 8.8564 8.1886 9.8349 8.4993 10.1456 9.4778 4.9684 4.3751 6.8445 6.1542 2.866 2.866 6.2249 7.0719 7.2988 1.4631 1.4631 7.2772 7.8704 7.5467 6.9534 7.5819 10.249 8.0852 10.7523 4.5385 -0.6265 -2.3213 0.7364 -2.7338 -4.3432 -3.0385 -3.5385 -4.0385 -1.7833 -3.5385 -2.5385 -4.5385 -4.4045 -1.577 -3.0385 -4.0385 -0.4203 0.5302 1.687 2.4313 1.8932 3.3818 2.8437 3.588 -1.1636 -1.6959 -3.3265 -2.9279 -1.9185 -5.1585 -4.7145 -4.9415 -4.0945 -2.7285 -4.3485 -1.04 -0.5077 1.1499 0.6176 2.3034 1.4317 3.8432 2.9716 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 7 9 12 13 16 20 20 21 22 23 24 7 8 8 9 9 12 13 16 17 17 21 22 23 24 25 25 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 429 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B300004000000000000000000000000016000000030600000000000005801F400001E0200000000080EE1972633DEB70C1400A80126F26C0082882D2137A009D820BE7E988F6EA2C5BBBB973828ECC013DAE8279040000000200000000000200040000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-chlorophenoxy)ethyl 2-(2-ethylbenzimidazol-1-yl)acetate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-ethyl-1-benzimidazolyl)acetic acid 2-(4-chlorophenoxy)ethyl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-chlorophenoxy)ethyl 2-(2-ethylbenzimidazol-1-yl)acetate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-chlorophenoxy)ethyl 2-(2-ethylbenzimidazol-1-yl)acetate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-chloranylphenoxy)ethyl 2-(2-ethylbenzimidazol-1-yl)ethanoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-ethylbenzimidazol-1-yl)acetic acid 2-(4-chlorophenoxy)ethyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H19ClN2O3/c1-2-18-21-16-5-3-4-6-17(16)22(18)13-19(23)25-12-11-24-15-9-7-14(20)8-10-15/h3-10H,2,11-13H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QTHMERAQOHFACB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.1084202 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H19ClN2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC1=NC2=CC=CC=C2N1CC(=O)OCCOC3=CC=C(C=C3)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC1=NC2=CC=CC=C2N1CC(=O)OCCOC3=CC=C(C=C3)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 53.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.1084202 25 0 0 0 0 0 0 0 1 -1