bis(1-(4-chlorophenyl)-1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol);1-(4-chlorophenyl)-1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol;[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-diphenylmethanol;bis(1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol);1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-phenylethanol;(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-diphenylmethanol;1-(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol

C273H248Cl3F29N24O23 — CID 167539053

IUPACbis(1-(4-chlorophenyl)-1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol);1-(4-chlorophenyl)-1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol;[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-diphenylmethanol;bis(1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol);1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-phenylethanol;(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-diphenylmethanol;1-(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol
SMILESCCn1c(C(O)(c2ccc(CO)cc2)C(F)(F)F)nc2ccc(N3CCCCC3)cc21.CCn1c(C(O)(c2ccc(CO)cc2)C(F)(F)F)nc2ccc(Oc3ccc(C)cc3)cc21.CCn1c(C(O)(c2ccc(CO)cc2)C(F)(F)F)nc2ccc(Oc3cccc(C)c3)cc21.CCn1c(C(O)(c2ccc(Cl)cc2)C(F)(F)F)nc2ccc(Oc3ccc(C)cc3)cc21.CCn1c(C(O)(c2ccc(Cl)cc2)C(F)(F)F)nc2ccc(Oc3cccc(C)c3)cc21.CCn1c(C(O)(c2ccc(Cl)cc2)C(F)(F)F)nc2ccc(Oc3cccc(C)c3)cc21.CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2ccc(Oc3cccc(C)c3)cc21.CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2ccc(Oc3cccc(C)c3)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(Oc3ccc(C)cc3)cc21.CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(N3CCCCC3)cc21.CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(Oc3cccc(C)c3)cc21
InChIInChI=1S/C29H26N2O2.C27H29N3O.2C25H23F3N2O3.3C24H20ClF3N2O2.2C24H20F4N2O2.C24H21F3N2O2.C23H26F3N3O2/c1-3-31-27-20-25(33-24-16-10-11-21(2)19-24)17-18-26(27)30-28(31)29(32,22-12-6-4-7-13-22)23-14-8-5-9-15-23;1-2-30-25-20-23(29-18-10-5-11-19-29)16-17-24(25)28-26(30)27(31,21-12-6-3-7-13-21)22-14-8-4-9-15-22;1-3-30-22-14-20(33-19-10-4-16(2)5-11-19)12-13-21(22)29-23(30)24(32,25(26,27)28)18-8-6-17(15-31)7-9-18;1-3-30-22-14-20(33-19-6-4-5-16(2)13-19)11-12-21(22)29-23(30)24(32,25(26,27)28)18-9-7-17(15-31)8-10-18;1-3-30-21-14-19(32-18-10-4-15(2)5-11-18)12-13-20(21)29-22(30)23(31,24(26,27)28)16-6-8-17(25)9-7-16;4*1-3-30-21-14-19(32-18-6-4-5-15(2)13-18)11-12-20(21)29-22(30)23(31,24(26,27)28)16-7-9-17(25)10-8-16;1-3-29-21-15-19(31-18-11-9-16(2)10-12-18)13-14-20(21)28-22(29)23(30,24(25,26)27)17-7-5-4-6-8-17;1-2-29-20-14-18(28-12-4-3-5-13-28)10-11-19(20)27-21(29)22(31,23(24,25)26)17-8-6-16(15-30)7-9-17/h4-20,32H,3H2,1-2H3;3-4,6-9,12-17,20,31H,2,5,10-11,18-19H2,1H3;2*4-14,31-32H,3,15H2,1-2H3;5*4-14,31H,3H2,1-2H3;4-15,30H,3H2,1-2H3;6-11,14,30-31H,2-5,12-13,15H2,1H3
InChIKeyAXVUUKRVOCDMFK-UHFFFAOYSA-N
MW4890.43 g/mol
LogP64.97
Rot. Bonds58

About bis(1-(4-chlorophenyl)-1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol);1-(4-chlorophenyl)-1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol;[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-diphenylmethanol;bis(1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol);1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-phenylethanol;(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-diphenylmethanol;1-(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol

bis(1-(4-chlorophenyl)-1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol);1-(4-chlorophenyl)-1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol;[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-diphenylmethanol;bis(1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol);1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-phenylethanol;(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-diphenylmethanol;1-(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol (PubChem CID 167539053) has the molecular formula C273H248Cl3F29N24O23 and a molecular weight of 4890.43 g/mol. Its IUPAC name is bis(1-(4-chlorophenyl)-1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol);1-(4-chlorophenyl)-1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol;[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-diphenylmethanol;bis(1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol);1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-phenylethanol;(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-diphenylmethanol;1-(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol.

Molecular Properties

Compound Namebis(1-(4-chlorophenyl)-1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol);1-(4-chlorophenyl)-1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol;[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-diphenylmethanol;bis(1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol);1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-phenylethanol;(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-diphenylmethanol;1-(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol
PubChem CID167539053
Molecular FormulaC273H248Cl3F29N24O23
Molecular Weight4890.43 g/mol
Exact Mass4885.76
IUPAC Namebis(1-(4-chlorophenyl)-1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol);1-(4-chlorophenyl)-1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol;[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-diphenylmethanol;bis(1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol);1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-phenylethanol;(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-diphenylmethanol;1-(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol
SMILESCCn1c(C(O)(c2ccc(CO)cc2)C(F)(F)F)nc2ccc(N3CCCCC3)cc21.CCn1c(C(O)(c2ccc(CO)cc2)C(F)(F)F)nc2ccc(Oc3ccc(C)cc3)cc21.CCn1c(C(O)(c2ccc(CO)cc2)C(F)(F)F)nc2ccc(Oc3cccc(C)c3)cc21.CCn1c(C(O)(c2ccc(Cl)cc2)C(F)(F)F)nc2ccc(Oc3ccc(C)cc3)cc21.CCn1c(C(O)(c2ccc(Cl)cc2)C(F)(F)F)nc2ccc(Oc3cccc(C)c3)cc21.CCn1c(C(O)(c2ccc(Cl)cc2)C(F)(F)F)nc2ccc(Oc3cccc(C)c3)cc21.CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2ccc(Oc3cccc(C)c3)cc21.CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2ccc(Oc3cccc(C)c3)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(Oc3ccc(C)cc3)cc21.CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(N3CCCCC3)cc21.CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(Oc3cccc(C)c3)cc21
InChIInChI=1S/C29H26N2O2.C27H29N3O.2C25H23F3N2O3.3C24H20ClF3N2O2.2C24H20F4N2O2.C24H21F3N2O2.C23H26F3N3O2/c1-3-31-27-20-25(33-24-16-10-11-21(2)19-24)17-18-26(27)30-28(31)29(32,22-12-6-4-7-13-22)23-14-8-5-9-15-23;1-2-30-25-20-23(29-18-10-5-11-19-29)16-17-24(25)28-26(30)27(31,21-12-6-3-7-13-21)22-14-8-4-9-15-22;1-3-30-22-14-20(33-19-10-4-16(2)5-11-19)12-13-21(22)29-23(30)24(32,25(26,27)28)18-8-6-17(15-31)7-9-18;1-3-30-22-14-20(33-19-6-4-5-16(2)13-19)11-12-21(22)29-23(30)24(32,25(26,27)28)18-9-7-17(15-31)8-10-18;1-3-30-21-14-19(32-18-10-4-15(2)5-11-18)12-13-20(21)29-22(30)23(31,24(26,27)28)16-6-8-17(25)9-7-16;4*1-3-30-21-14-19(32-18-6-4-5-15(2)13-18)11-12-20(21)29-22(30)23(31,24(26,27)28)16-7-9-17(25)10-8-16;1-3-29-21-15-19(31-18-11-9-16(2)10-12-18)13-14-20(21)28-22(29)23(30,24(25,26)27)17-7-5-4-6-8-17;1-2-29-20-14-18(28-12-4-3-5-13-28)10-11-19(20)27-21(29)22(31,23(24,25)26)17-8-6-16(15-30)7-9-17/h4-20,32H,3H2,1-2H3;3-4,6-9,12-17,20,31H,2,5,10-11,18-19H2,1H3;2*4-14,31-32H,3,15H2,1-2H3;5*4-14,31H,3H2,1-2H3;4-15,30H,3H2,1-2H3;6-11,14,30-31H,2-5,12-13,15H2,1H3
InChIKeyAXVUUKRVOCDMFK-UHFFFAOYSA-N
XLogP64.97
TPSA568.79 Ų
H-Bond Donors14
H-Bond Acceptors47
Rotatable Bonds58
Heavy Atoms352
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004890.43
LogP ≤ 564.97
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1047

Analyze bis(1-(4-chlorophenyl)-1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol);1-(4-chlorophenyl)-1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol;[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-diphenylmethanol;bis(1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol);1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-phenylethanol;(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-diphenylmethanol;1-(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-(4-chlorophenyl)-1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol);1-(4-chlorophenyl)-1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol;[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-diphenylmethanol;bis(1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol);1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-phenylethanol;(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-diphenylmethanol;1-(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol?
The IUPAC name of bis(1-(4-chlorophenyl)-1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol);1-(4-chlorophenyl)-1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol;[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-diphenylmethanol;bis(1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol);1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-phenylethanol;(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-diphenylmethanol;1-(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol (CID 167539053) is bis(1-(4-chlorophenyl)-1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol);1-(4-chlorophenyl)-1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol;[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-diphenylmethanol;bis(1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol);1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-phenylethanol;(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-diphenylmethanol;1-(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol.
What is the SMILES notation for bis(1-(4-chlorophenyl)-1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol);1-(4-chlorophenyl)-1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol;[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-diphenylmethanol;bis(1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol);1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-phenylethanol;(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-diphenylmethanol;1-(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol?
The canonical SMILES for bis(1-(4-chlorophenyl)-1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol);1-(4-chlorophenyl)-1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol;[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-diphenylmethanol;bis(1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol);1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-phenylethanol;(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-diphenylmethanol;1-(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol is CCn1c(C(O)(c2ccc(CO)cc2)C(F)(F)F)nc2ccc(N3CCCCC3)cc21.CCn1c(C(O)(c2ccc(CO)cc2)C(F)(F)F)nc2ccc(Oc3ccc(C)cc3)cc21.CCn1c(C(O)(c2ccc(CO)cc2)C(F)(F)F)nc2ccc(Oc3cccc(C)c3)cc21.CCn1c(C(O)(c2ccc(Cl)cc2)C(F)(F)F)nc2ccc(Oc3ccc(C)cc3)cc21.CCn1c(C(O)(c2ccc(Cl)cc2)C(F)(F)F)nc2ccc(Oc3cccc(C)c3)cc21.CCn1c(C(O)(c2ccc(Cl)cc2)C(F)(F)F)nc2ccc(Oc3cccc(C)c3)cc21.CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2ccc(Oc3cccc(C)c3)cc21.CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2ccc(Oc3cccc(C)c3)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(Oc3ccc(C)cc3)cc21.CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(N3CCCCC3)cc21.CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(Oc3cccc(C)c3)cc21.
What is the InChIKey of bis(1-(4-chlorophenyl)-1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol);1-(4-chlorophenyl)-1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol;[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-diphenylmethanol;bis(1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol);1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-phenylethanol;(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-diphenylmethanol;1-(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol?
The InChIKey is AXVUUKRVOCDMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2.C27H29N3O.2C25H23F3N2O3.3C24H20ClF3N2O2.2C24H20F4N2O2.C24H21F3N2O2.C23H26F3N3O2/c1-3-31-27-20-25(33-24-16-10-11-21(2)19-24)17-18-26(27)30-28(31)29(32,22-12-6-4-7-13-22)23-14-8-5-9-15-23;1-2-30-25-20-23(29-18-10-5-11-19-29)16-17-24(25)28-26(30)27(31,21-12-6-3-7-13-21)22-14-8-4-9-15-22;1-3-30-22-14-20(33-19-10-4-16(2)5-11-19)12-13-21(22)29-23(30)24(32,25(26,27)28)18-8-6-17(15-31)7-9-18;1-3-30-22-14-20(33-19-6-4-5-16(2)13-19)11-12-21(22)29-23(30)24(32,25(26,27)28)18-9-7-17(15-31)8-10-18;1-3-30-21-14-19(32-18-10-4-15(2)5-11-18)12-13-20(21)29-22(30)23(31,24(26,27)28)16-6-8-17(25)9-7-16;4*1-3-30-21-14-19(32-18-6-4-5-15(2)13-18)11-12-20(21)29-22(30)23(31,24(26,27)28)16-7-9-17(25)10-8-16;1-3-29-21-15-19(31-18-11-9-16(2)10-12-18)13-14-20(21)28-22(29)23(30,24(25,26)27)17-7-5-4-6-8-17;1-2-29-20-14-18(28-12-4-3-5-13-28)10-11-19(20)27-21(29)22(31,23(24,25)26)17-8-6-16(15-30)7-9-17/h4-20,32H,3H2,1-2H3;3-4,6-9,12-17,20,31H,2,5,10-11,18-19H2,1H3;2*4-14,31-32H,3,15H2,1-2H3;5*4-14,31H,3H2,1-2H3;4-15,30H,3H2,1-2H3;6-11,14,30-31H,2-5,12-13,15H2,1H3.
What are the key properties of bis(1-(4-chlorophenyl)-1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol);1-(4-chlorophenyl)-1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol;[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-diphenylmethanol;bis(1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol);1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-phenylethanol;(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-diphenylmethanol;1-(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol?
bis(1-(4-chlorophenyl)-1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol);1-(4-chlorophenyl)-1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol;[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-diphenylmethanol;bis(1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol);1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-phenylethanol;(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-diphenylmethanol;1-(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol has a molecular weight of 4890.43 g/mol, XLogP of 64.97, 58 rotatable bonds, 14 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(4-chlorophenyl)-1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol);1-(4-chlorophenyl)-1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoroethanol;[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-diphenylmethanol;bis(1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol);1-[1-ethyl-6-(3-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol;1-[1-ethyl-6-(4-methylphenoxy)benzimidazol-2-yl]-2,2,2-trifluoro-1-phenylethanol;(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-diphenylmethanol;1-(1-ethyl-6-piperidin-1-ylbenzimidazol-2-yl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]ethanol is sourced from PubChem (CID 167539053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).