53301197 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 45 46 47 8 7 7 7 7 6 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 1 1 1 1 2 2 2 3 3 3 4 4 5 5 6 7 8 8 8 10 10 11 11 11 12 13 13 13 14 14 15 15 16 17 17 18 18 18 19 20 20 20 21 21 22 22 22 23 23 24 24 25 12 19 6 9 10 6 8 28 7 9 9 16 7 12 11 26 27 14 18 13 29 30 15 20 31 32 16 33 17 34 22 19 21 35 36 37 23 38 39 40 24 41 42 43 44 25 45 25 46 47 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 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 45 46 47 7.7115 4.5981 5.855 5.5443 3.732 5.5443 6.1279 5.1871 4.5981 3.732 5.4978 7.1279 4.8299 2.866 7.7115 2.866 8.6577 3.732 8.6577 5.1406 9.5238 2 9.5238 10.3898 10.3898 4.6402 4.8046 6.4616 6.0447 5.8803 4.283 4.4474 2.3291 7.5189 4.352 3.732 3.112 5.7299 5.3332 4.5513 9.5238 1.69 1.4631 2.31 9.5238 10.9267 10.9267 -1.2677 -1.5724 -0.3172 -2.8772 -3.0724 -1.2677 -2.0724 0.4271 -2.5724 -1.0724 1.3776 -2.0724 2.1219 -1.5724 -2.8772 -2.5724 -2.5724 -0.0724 -1.5724 3.0724 -3.0724 -3.0724 -1.0724 -2.5724 -1.5724 0.7191 -0.0608 -0.1893 1.0856 1.8655 2.414 1.634 -1.2624 -3.4665 -0.0724 0.5476 -0.0724 2.8798 3.6618 3.2651 -3.6924 -2.5355 -3.3824 -3.6094 -0.4524 -2.8824 -1.2624 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 2 4 4 5 5 6 10 12 14 15 17 17 19 21 23 24 12 19 6 9 10 7 9 9 16 7 14 15 16 17 19 21 23 24 25 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 447 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BA0000000000000000000000000000001624000003C400000000000005801FE00001E00100000000C0CC19E0433B6D7CC1C40A803A672640482882D2732A00998A1BE7CD88E6EFAC4FDFB973DA8EED013D8E9E798D9A39E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(benzofuran-2-yl)-N-butyl-5,7-dimethyl-imidazo[1,2-a]pyrimidin-3-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-benzofuranyl)-N-butyl-5,7-dimethyl-3-imidazo[1,2-a]pyrimidinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(1-benzofuran-2-yl)-<I>N</I>-butyl-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(1-benzofuran-2-yl)-N-butyl-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(1-benzofuran-2-yl)-N-butyl-5,7-dimethyl-imidazo[1,2-a]pyrimidin-3-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [2-(benzofuran-2-yl)-5,7-dimethyl-imidazo[1,2-a]pyrimidin-3-yl]-butyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H22N4O/c1-4-5-10-21-19-18(17-12-15-8-6-7-9-16(15)25-17)23-20-22-13(2)11-14(3)24(19)20/h6-9,11-12,21H,4-5,10H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 TWQOILMZIGRJAV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.17936134 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H22N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCNC1=C(N=C2N1C(=CC(=N2)C)C)C3=CC4=CC=CC=C4O3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCNC1=C(N=C2N1C(=CC(=N2)C)C)C3=CC4=CC=CC=C4O3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 55.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.17936134 25 0 0 0 0 0 0 0 1 -1