About 3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;4-cyclopentyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;2-N-(3,5-dimethylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine
3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;4-cyclopentyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;2-N-(3,5-dimethylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine (PubChem CID 160672372) has the molecular formula C126H159Cl2F4N25O3S
and a molecular weight of 2250.79 g/mol. Its IUPAC name is 3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;4-cyclopentyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;2-N-(3,5-dimethylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine.
Frequently Asked Questions
What is the IUPAC name of 3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;4-cyclopentyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;2-N-(3,5-dimethylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;4-cyclopentyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;2-N-(3,5-dimethylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine (CID 160672372) is 3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;4-cyclopentyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;2-N-(3,5-dimethylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;4-cyclopentyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;2-N-(3,5-dimethylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;4-cyclopentyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;2-N-(3,5-dimethylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine is CN(CCCO)Cc1cc(Cl)cc2c1nc(N1CCNCC1)n2Cc1ccc(F)c(Cl)c1.Cc1cc(C)cc(Nc2nc(N[C@H](C)c3cccs3)c3cccc(C4=CCNCC4)c3n2)c1.Cc1cc(NCCN(C)C)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(OC2CCCC2)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(OCCN(C)C)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.
What is the InChIKey of 3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;4-cyclopentyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;2-N-(3,5-dimethylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine?
The InChIKey is RNBZPWJRGHRFQB-MXFMKSRJSA-N. The full InChI is InChI=1S/C27H29N5S.C26H33FN4O.C25H35FN6.C25H34FN5O.C23H28Cl2FN5O/c1-17-14-18(2)16-21(15-17)30-27-31-25-22(20-9-11-28-12-10-20)6-4-7-23(25)26(32-27)29-19(3)24-8-5-13-33-24;1-17-12-22-25(23(13-17)32-21-6-4-5-7-21)29-26(30-10-8-28-9-11-30)31(22)16-20-14-18(2)24(27)19(3)15-20;1-17-12-21(28-8-9-30(4)5)24-22(13-17)32(25(29-24)31-10-6-27-7-11-31)16-20-14-18(2)23(26)19(3)15-20;1-17-12-21-24(22(13-17)32-11-10-29(4)5)28-25(30-8-6-27-7-9-30)31(21)16-20-14-18(2)23(26)19(3)15-20;1-29(7-2-10-32)15-17-12-18(24)13-21-22(17)28-23(30-8-5-27-6-9-30)31(21)14-16-3-4-20(26)19(25)11-16/h4-9,13-16,19,28H,10-12H2,1-3H3,(H2,29,30,31,32);12-15,21,28H,4-11,16H2,1-3H3;12-15,27-28H,6-11,16H2,1-5H3;12-15,27H,6-11,16H2,1-5H3;3-4,11-13,27,32H,2,5-10,14-15H2,1H3/t19-;;;;/m1..../s1.
What are the key properties of 3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;4-cyclopentyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;2-N-(3,5-dimethylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine?
3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;4-cyclopentyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;2-N-(3,5-dimethylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine has a molecular weight of 2250.79 g/mol, XLogP of 22.27, 33 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;4-cyclopentyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;2-N-(3,5-dimethylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;N-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-N',N'-dimethylethane-1,2-diamine;2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 160672372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).