1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol

C149H149F36N21O6S2 — CID 161238153

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
SMILESCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1ccc(CN2CCN(Cc3ccncc3)CC2)cc1.Cn1cnc(CN2CCN(Cc3ccc(-c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4)cc3)CC2)c1.Cn1cncc1CN1CCN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1.OC(c1ccc(-c2ccc(CN3CCN(Cc4cnc[nH]4)CC3)cc2)cc1)(C(F)(F)F)C(F)(F)F.OC(c1ccc(-c2ccc(CN3CCN(Cc4cncs4)CC3)cc2)cc1)(C(F)(F)F)C(F)(F)F.OC(c1ccc(-c2ccc(CN3CCN(Cc4cscn4)CC3)cc2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C27H27F6N3O.2C25H26F6N4O.C24H24F6N4O.2C24H23F6N3OS/c1-19-16-23(25(37,26(28,29)30)27(31,32)33)6-7-24(19)22-4-2-20(3-5-22)17-35-12-14-36(15-13-35)18-21-8-10-34-11-9-21;1-33-17-32-14-22(33)16-35-12-10-34(11-13-35)15-18-2-4-19(5-3-18)20-6-8-21(9-7-20)23(36,24(26,27)28)25(29,30)31;1-33-15-22(32-17-33)16-35-12-10-34(11-13-35)14-18-2-4-19(5-3-18)20-6-8-21(9-7-20)23(36,24(26,27)28)25(29,30)31;25-23(26,27)22(35,24(28,29)30)20-7-5-19(6-8-20)18-3-1-17(2-4-18)14-33-9-11-34(12-10-33)15-21-13-31-16-32-21;25-23(26,27)22(34,24(28,29)30)20-7-5-19(6-8-20)18-3-1-17(2-4-18)14-32-9-11-33(12-10-32)15-21-13-31-16-35-21;25-23(26,27)22(34,24(28,29)30)20-7-5-19(6-8-20)18-3-1-17(2-4-18)13-32-9-11-33(12-10-32)14-21-15-35-16-31-21/h2-11,16,37H,12-15,17-18H2,1H3;2-9,14,17,36H,10-13,15-16H2,1H3;2-9,15,17,36H,10-14,16H2,1H3;1-8,13,16,35H,9-12,14-15H2,(H,31,32);1-8,13,16,34H,9-12,14-15H2;1-8,15-16,34H,9-14H2
InChIKeyUZQLQOKFMUAWCH-UHFFFAOYSA-N
MW3078.03 g/mol
LogP30.71
Rot. Bonds36

About 1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol (PubChem CID 161238153) has the molecular formula C149H149F36N21O6S2 and a molecular weight of 3078.03 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
PubChem CID161238153
Molecular FormulaC149H149F36N21O6S2
Molecular Weight3078.03 g/mol
Exact Mass3076.09
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
SMILESCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1ccc(CN2CCN(Cc3ccncc3)CC2)cc1.Cn1cnc(CN2CCN(Cc3ccc(-c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4)cc3)CC2)c1.Cn1cncc1CN1CCN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1.OC(c1ccc(-c2ccc(CN3CCN(Cc4cnc[nH]4)CC3)cc2)cc1)(C(F)(F)F)C(F)(F)F.OC(c1ccc(-c2ccc(CN3CCN(Cc4cncs4)CC3)cc2)cc1)(C(F)(F)F)C(F)(F)F.OC(c1ccc(-c2ccc(CN3CCN(Cc4cscn4)CC3)cc2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C27H27F6N3O.2C25H26F6N4O.C24H24F6N4O.2C24H23F6N3OS/c1-19-16-23(25(37,26(28,29)30)27(31,32)33)6-7-24(19)22-4-2-20(3-5-22)17-35-12-14-36(15-13-35)18-21-8-10-34-11-9-21;1-33-17-32-14-22(33)16-35-12-10-34(11-13-35)15-18-2-4-19(5-3-18)20-6-8-21(9-7-20)23(36,24(26,27)28)25(29,30)31;1-33-15-22(32-17-33)16-35-12-10-34(11-13-35)14-18-2-4-19(5-3-18)20-6-8-21(9-7-20)23(36,24(26,27)28)25(29,30)31;25-23(26,27)22(35,24(28,29)30)20-7-5-19(6-8-20)18-3-1-17(2-4-18)14-33-9-11-34(12-10-33)15-21-13-31-16-32-21;25-23(26,27)22(34,24(28,29)30)20-7-5-19(6-8-20)18-3-1-17(2-4-18)14-32-9-11-33(12-10-32)15-21-13-31-16-35-21;25-23(26,27)22(34,24(28,29)30)20-7-5-19(6-8-20)18-3-1-17(2-4-18)13-32-9-11-33(12-10-32)14-21-15-35-16-31-21/h2-11,16,37H,12-15,17-18H2,1H3;2-9,14,17,36H,10-13,15-16H2,1H3;2-9,15,17,36H,10-14,16H2,1H3;1-8,13,16,35H,9-12,14-15H2,(H,31,32);1-8,13,16,34H,9-12,14-15H2;1-8,15-16,34H,9-14H2
InChIKeyUZQLQOKFMUAWCH-UHFFFAOYSA-N
XLogP30.71
TPSA263.25 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds36
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003078.03
LogP ≤ 530.71
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Analyze 1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol with MolForge

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Related Compounds

N-[(2S)-butan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-1-ium-2-amine;4-[2-[6-(2,3-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(2-methylsulfanylphenyl)pyridin-1-ium-3-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;[4-[5-[2-(2-methyl-1,3-thiazol-3-ium-4-yl)ethynyl]pyridin-1-ium-3-yl]phenyl]methanol;5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pentan-3-ylpyridin-1-ium-2-amine;bis(2,2,2-trifluoroacetate);trichloride
CID 159149323
N-[(2R)-butan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-1-ium-2-amine;4-[2-[6-(2,3-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(2-methylsulfanylphenyl)pyridin-1-ium-3-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;[4-[5-[2-(2-methyl-1,3-thiazol-3-ium-4-yl)ethynyl]pyridin-1-ium-3-yl]phenyl]methanol;5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pentan-3-ylpyridin-1-ium-2-amine;bis(2,2,2-trifluoroacetate);trichloride
CID 159149324
[4-[[4-[4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[2-methyl-4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
CID 161601726
[3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 159295917
[3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 161371643
2-[4-[2-(1H-imidazol-5-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-piperazin-1-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;5-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-ol;3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-ol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine
CID 161426062
tris((3-ethyl-8-fluoroindolizin-5-yl)-(1H-imidazol-2-yl)methanol);(8-fluoro-3-methylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;(8-fluoro-3-propan-2-ylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;[4-fluoro-2-(1,3-thiazol-4-yl)phenyl]-(1H-imidazol-2-yl)methanol
CID 162201957
4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;4-(2,6-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;[3-fluoro-2-[5-(1H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]methanol;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol
CID 162230781

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol (CID 161238153) is 1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol is Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1ccc(CN2CCN(Cc3ccncc3)CC2)cc1.Cn1cnc(CN2CCN(Cc3ccc(-c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4)cc3)CC2)c1.Cn1cncc1CN1CCN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1.OC(c1ccc(-c2ccc(CN3CCN(Cc4cnc[nH]4)CC3)cc2)cc1)(C(F)(F)F)C(F)(F)F.OC(c1ccc(-c2ccc(CN3CCN(Cc4cncs4)CC3)cc2)cc1)(C(F)(F)F)C(F)(F)F.OC(c1ccc(-c2ccc(CN3CCN(Cc4cscn4)CC3)cc2)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol?
The InChIKey is UZQLQOKFMUAWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F6N3O.2C25H26F6N4O.C24H24F6N4O.2C24H23F6N3OS/c1-19-16-23(25(37,26(28,29)30)27(31,32)33)6-7-24(19)22-4-2-20(3-5-22)17-35-12-14-36(15-13-35)18-21-8-10-34-11-9-21;1-33-17-32-14-22(33)16-35-12-10-34(11-13-35)15-18-2-4-19(5-3-18)20-6-8-21(9-7-20)23(36,24(26,27)28)25(29,30)31;1-33-15-22(32-17-33)16-35-12-10-34(11-13-35)14-18-2-4-19(5-3-18)20-6-8-21(9-7-20)23(36,24(26,27)28)25(29,30)31;25-23(26,27)22(35,24(28,29)30)20-7-5-19(6-8-20)18-3-1-17(2-4-18)14-33-9-11-34(12-10-33)15-21-13-31-16-32-21;25-23(26,27)22(34,24(28,29)30)20-7-5-19(6-8-20)18-3-1-17(2-4-18)14-32-9-11-33(12-10-32)15-21-13-31-16-35-21;25-23(26,27)22(34,24(28,29)30)20-7-5-19(6-8-20)18-3-1-17(2-4-18)13-32-9-11-33(12-10-32)14-21-15-35-16-31-21/h2-11,16,37H,12-15,17-18H2,1H3;2-9,14,17,36H,10-13,15-16H2,1H3;2-9,15,17,36H,10-14,16H2,1H3;1-8,13,16,35H,9-12,14-15H2,(H,31,32);1-8,13,16,34H,9-12,14-15H2;1-8,15-16,34H,9-14H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol has a molecular weight of 3078.03 g/mol, XLogP of 30.71, 36 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol is sourced from PubChem (CID 161238153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).