About 1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole;methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine
1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole;methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 159202388) has the molecular formula C128H106BrClF6N20O23
and a molecular weight of 2521.72 g/mol. Its IUPAC name is 1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole;methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine.
Frequently Asked Questions
What is the IUPAC name of 1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole;methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine?
The IUPAC name of 1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole;methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine (CID 159202388) is 1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole;methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine.
What is the SMILES notation for 1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole;methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine?
The canonical SMILES for 1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole;methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine is CC(=O)CBr.CCOC(=O)C1C2Oc3ccc(O)cc3C21.COC(=O)C1C2Oc3ccc(Oc4ccnc(-c5ncc(C)[nH]5)c4)cc3C21.Cc1cnc(-c2cc(Oc3ccc4c(c3)C3C(O4)C3C(=O)O)ccn2)[nH]1.Cc1cnc(-c2cc(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccc(C(F)(F)F)cc4[nH]3)ccn2)[nH]1.N#Cc1cc(Cl)ccn1.Nc1ccc(C(F)(F)F)cc1N.[C-]#[N+]c1cc(Oc2ccc3c(c2)C2C(O3)C2C(=O)OCC)ccn1.[H]/N=C(\N)c1cc(Oc2ccc3c(c2)C2C(O3)C2C(=O)OC)ccn1.
What is the InChIKey of 1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole;methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine?
The InChIKey is KPLLRSYSPRSBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N5O2.C20H17N3O4.C19H15N3O4.C18H14N2O4.C17H15N3O4.C12H12O4.C7H7F3N2.C6H3ClN2.C3H5BrO/c1-12-11-31-24(32-12)19-10-15(6-7-30-19)35-14-3-5-20-16(9-14)21-22(23(21)36-20)25-33-17-4-2-13(26(27,28)29)8-18(17)34-25;1-10-9-22-19(23-10)14-8-12(5-6-21-14)26-11-3-4-15-13(7-11)16-17(18(16)27-15)20(24)25-2;1-9-8-21-18(22-9)13-7-11(4-5-20-13)25-10-2-3-14-12(6-10)15-16(19(23)24)17(15)26-14;1-3-22-18(21)16-15-12-8-10(4-5-13(12)24-17(15)16)23-11-6-7-20-14(9-11)19-2;1-22-17(21)14-13-10-6-8(2-3-12(10)24-15(13)14)23-9-4-5-20-11(7-9)16(18)19;1-2-15-12(14)10-9-7-5-6(13)3-4-8(7)16-11(9)10;8-7(9,10)4-1-2-5(11)6(12)3-4;7-5-1-2-9-6(3-5)4-8;1-3(5)2-4/h2-11,21-23H,1H3,(H,31,32)(H,33,34);3-9,16-18H,1-2H3,(H,22,23);2-8,15-17H,1H3,(H,21,22)(H,23,24);4-9,15-17H,3H2,1H3;2-7,13-15H,1H3,(H3,18,19);3-5,9-11,13H,2H2,1H3;1-3H,11-12H2;1-3H;2H2,1H3.
What are the key properties of 1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole;methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine?
1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole;methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 2521.72 g/mol, XLogP of 23.60, 23 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopropan-2-one;4-chloropyridine-2-carbonitrile;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(2-isocyano-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;methyl 5-[(2-carbamimidoyl-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole;methyl 5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;4-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 159202388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).