1-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol

C78H76F9N7O7S — CID 123255842

About 1-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol

1-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol (PubChem CID 123255842) has the molecular formula C78H76F9N7O7S and a molecular weight of 1426.56 g/mol. Its IUPAC name is 1-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol.

Molecular Properties

• Compound Name: 1-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
• PubChem CID: 123255842
• Molecular Formula: C78H76F9N7O7S
• Molecular Weight: 1426.56 g/mol
• Exact Mass: 1425.54
• IUPAC Name: 1-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
• SMILES: CC(O)c1ccccc1-c1ccc2nc(CCc3ccc(OC(C)C(F)(F)F)cc3)[nH]c2c1.CC(Oc1ccc(CCc2nc3ccc(-c4ccccc4C(C)(C)O)cc3[nH]2)cc1)C(F)(F)F.CC(Oc1ccc(CCc2nc3ccc(-c4ccccc4NS(C)(=O)=O)cc3[nH]2)cc1)C(F)(F)F
• InChI: InChI=1S/C27H27F3N2O2.C26H25F3N2O2.C25H24F3N3O3S/c1-17(27(28,29)30)34-20-12-8-18(9-13-20)10-15-25-31-23-14-11-19(16-24(23)32-25)21-6-4-5-7-22(21)26(2,3)33;1-16(32)21-5-3-4-6-22(21)19-10-13-23-24(15-19)31-25(30-23)14-9-18-7-11-20(12-8-18)33-17(2)26(27,28)29;1-16(25(26,27)28)34-19-11-7-17(8-12-19)9-14-24-29-22-13-10-18(15-23(22)30-24)20-5-3-4-6-21(20)31-35(2,32)33/h4-9,11-14,16-17,33H,10,15H2,1-3H3,(H,31,32);3-8,10-13,15-17,32H,9,14H2,1-2H3,(H,30,31);3-8,10-13,15-16,31H,9,14H2,1-2H3,(H,29,30)
• InChIKey: HJEJLYOTQISAQW-UHFFFAOYSA-N
• XLogP: 18.69
• TPSA: 200.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 22
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1426.56
LogP ≤ 5	18.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?

The IUPAC name of 1-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol (CID 123255842) is 1-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol.

What is the SMILES notation for 1-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?

The canonical SMILES for 1-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol is CC(O)c1ccccc1-c1ccc2nc(CCc3ccc(OC(C)C(F)(F)F)cc3)[nH]c2c1.CC(Oc1ccc(CCc2nc3ccc(-c4ccccc4C(C)(C)O)cc3[nH]2)cc1)C(F)(F)F.CC(Oc1ccc(CCc2nc3ccc(-c4ccccc4NS(C)(=O)=O)cc3[nH]2)cc1)C(F)(F)F.

What is the InChIKey of 1-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?

The InChIKey is HJEJLYOTQISAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N2O2.C26H25F3N2O2.C25H24F3N3O3S/c1-17(27(28,29)30)34-20-12-8-18(9-13-20)10-15-25-31-23-14-11-19(16-24(23)32-25)21-6-4-5-7-22(21)26(2,3)33;1-16(32)21-5-3-4-6-22(21)19-10-13-23-24(15-19)31-25(30-23)14-9-18-7-11-20(12-8-18)33-17(2)26(27,28)29;1-16(25(26,27)28)34-19-11-7-17(8-12-19)9-14-24-29-22-13-10-18(15-23(22)30-24)20-5-3-4-6-21(20)31-35(2,32)33/h4-9,11-14,16-17,33H,10,15H2,1-3H3,(H,31,32);3-8,10-13,15-17,32H,9,14H2,1-2H3,(H,30,31);3-8,10-13,15-16,31H,9,14H2,1-2H3,(H,29,30).

What are the key properties of 1-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?

1-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol has a molecular weight of 1426.56 g/mol, XLogP of 18.69, 22 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol is sourced from PubChem (CID 123255842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).