1-[2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide

C77H67F9N8O8S2 — CID 123687713

About 1-[2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide

1-[2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (PubChem CID 123687713) has the molecular formula C77H67F9N8O8S2 and a molecular weight of 1467.55 g/mol. Its IUPAC name is 1-[2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: 1-[2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
• PubChem CID: 123687713
• Molecular Formula: C77H67F9N8O8S2
• Molecular Weight: 1467.55 g/mol
• Exact Mass: 1466.44
• IUPAC Name: 1-[2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
• SMILES: CC(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(OCC(F)(F)F)cc3)[nH]c2c1.CC(Oc1ccc(C2CC2c2nc3ccc(-c4ccccc4NS(C)(=O)=O)cc3[nH]2)cc1)C(F)(F)F.CC(Oc1ccc(C2CC2c2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)cc1)C(F)(F)F
• InChI: InChI=1S/C26H24F3N3O3S.C26H21F3N2O2.C25H22F3N3O3S/c1-15(26(27,28)29)35-18-10-7-16(8-11-18)20-14-21(20)25-30-23-12-9-17(13-24(23)31-25)19-5-3-4-6-22(19)32-36(2,33)34;1-15(32)19-4-2-3-5-20(19)17-8-11-23-24(12-17)31-25(30-23)22-13-21(22)16-6-9-18(10-7-16)33-14-26(27,28)29;1-14(25(26,27)28)34-17-9-6-15(7-10-17)19-13-20(19)24-30-21-11-8-16(12-22(21)31-24)18-4-2-3-5-23(18)35(29,32)33/h3-13,15,20-21,32H,14H2,1-2H3,(H,30,31);2-12,21-22H,13-14H2,1H3,(H,30,31);2-12,14,19-20H,13H2,1H3,(H,30,31)(H2,29,32,33)
• InChIKey: YBQPXNFYBKMQIT-UHFFFAOYSA-N
• XLogP: 18.32
• TPSA: 237.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1467.55
LogP ≤ 5	18.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?

The IUPAC name of 1-[2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (CID 123687713) is 1-[2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.

What is the SMILES notation for 1-[2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?

The canonical SMILES for 1-[2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is CC(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(OCC(F)(F)F)cc3)[nH]c2c1.CC(Oc1ccc(C2CC2c2nc3ccc(-c4ccccc4NS(C)(=O)=O)cc3[nH]2)cc1)C(F)(F)F.CC(Oc1ccc(C2CC2c2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)cc1)C(F)(F)F.

What is the InChIKey of 1-[2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?

The InChIKey is YBQPXNFYBKMQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O3S.C26H21F3N2O2.C25H22F3N3O3S/c1-15(26(27,28)29)35-18-10-7-16(8-11-18)20-14-21(20)25-30-23-12-9-17(13-24(23)31-25)19-5-3-4-6-22(19)32-36(2,33)34;1-15(32)19-4-2-3-5-20(19)17-8-11-23-24(12-17)31-25(30-23)22-13-21(22)16-6-9-18(10-7-16)33-14-26(27,28)29;1-14(25(26,27)28)34-17-9-6-15(7-10-17)19-13-20(19)24-30-21-11-8-16(12-22(21)31-24)18-4-2-3-5-23(18)35(29,32)33/h3-13,15,20-21,32H,14H2,1-2H3,(H,30,31);2-12,21-22H,13-14H2,1H3,(H,30,31);2-12,14,19-20H,13H2,1H3,(H,30,31)(H2,29,32,33).

What are the key properties of 1-[2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?

1-[2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 1467.55 g/mol, XLogP of 18.32, 19 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 123687713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).