2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide

C76H64F12N8O8S2 — CID 123414949

About 2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide

2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (PubChem CID 123414949) has the molecular formula C76H64F12N8O8S2 and a molecular weight of 1509.51 g/mol. Its IUPAC name is 2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: 2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
• PubChem CID: 123414949
• Molecular Formula: C76H64F12N8O8S2
• Molecular Weight: 1509.51 g/mol
• Exact Mass: 1508.41
• IUPAC Name: 2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
• SMILES: CC(Oc1ccc(/C=C/c2nc3ccc(-c4ccccc4C(C)(C)O)cc3[nH]2)cc1)C(F)(F)F.CC(Oc1ccc(/C=C/c2nc3ccc(-c4ccccc4NS(=O)(=O)C(F)(F)F)cc3[nH]2)cc1)C(F)(F)F.CC(Oc1ccc(/C=C/c2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)cc1)C(F)(F)F
• InChI: InChI=1S/C27H25F3N2O2.C25H19F6N3O3S.C24H20F3N3O3S/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;1-15(24(26,27)28)37-18-10-6-16(7-11-18)8-13-23-32-21-12-9-17(14-22(21)33-23)19-4-2-3-5-20(19)34-38(35,36)25(29,30)31;1-15(24(25,26)27)33-18-10-6-16(7-11-18)8-13-23-29-20-12-9-17(14-21(20)30-23)19-4-2-3-5-22(19)34(28,31)32/h4-17,33H,1-3H3,(H,31,32);2-15,34H,1H3,(H,32,33);2-15H,1H3,(H,29,30)(H2,28,31,32)/b15-10+;2*13-8+
• InChIKey: UOHZSPOAFFGVLT-JIFCMJEASA-N
• XLogP: 19.33
• TPSA: 240.29 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1509.51
LogP ≤ 5	19.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (CID 123414949) is 2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.

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

The canonical SMILES for 2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is CC(Oc1ccc(/C=C/c2nc3ccc(-c4ccccc4C(C)(C)O)cc3[nH]2)cc1)C(F)(F)F.CC(Oc1ccc(/C=C/c2nc3ccc(-c4ccccc4NS(=O)(=O)C(F)(F)F)cc3[nH]2)cc1)C(F)(F)F.CC(Oc1ccc(/C=C/c2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)cc1)C(F)(F)F.

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

The InChIKey is UOHZSPOAFFGVLT-JIFCMJEASA-N. The full InChI is InChI=1S/C27H25F3N2O2.C25H19F6N3O3S.C24H20F3N3O3S/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;1-15(24(26,27)28)37-18-10-6-16(7-11-18)8-13-23-32-21-12-9-17(14-22(21)33-23)19-4-2-3-5-20(19)34-38(35,36)25(29,30)31;1-15(24(25,26)27)33-18-10-6-16(7-11-18)8-13-23-29-20-12-9-17(14-21(20)30-23)19-4-2-3-5-22(19)34(28,31)32/h4-17,33H,1-3H3,(H,31,32);2-15,34H,1H3,(H,32,33);2-15H,1H3,(H,29,30)(H2,28,31,32)/b15-10+;2*13-8+.

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

2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 1509.51 g/mol, XLogP of 19.33, 19 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 123414949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).