1-[2-[2-[2-[4-(2,2-difluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide

C73H69F5N8O8S2 — CID 123294107

IUPAC1-[2-[2-[2-[4-(2,2-difluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(=O)c1ccccc1-c1ccc2nc(CCc3ccc(OCC(C)(F)F)cc3)[nH]c2c1.CCOc1ccc(CCc2nc3ccc(-c4ccccc4NS(=O)(=O)C(F)(F)F)cc3[nH]2)cc1.CCOc1ccc(CCc2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)cc1
InChIInChI=1S/C26H24F2N2O2.C24H22F3N3O3S.C23H23N3O3S/c1-17(31)21-5-3-4-6-22(21)19-10-13-23-24(15-19)30-25(29-23)14-9-18-7-11-20(12-8-18)32-16-26(2,27)28;1-2-33-18-11-7-16(8-12-18)9-14-23-28-21-13-10-17(15-22(21)29-23)19-5-3-4-6-20(19)30-34(31,32)24(25,26)27;1-2-29-18-11-7-16(8-12-18)9-14-23-25-20-13-10-17(15-21(20)26-23)19-5-3-4-6-22(19)30(24,27)28/h3-8,10-13,15H,9,14,16H2,1-2H3,(H,29,30);3-8,10-13,15,30H,2,9,14H2,1H3,(H,28,29);3-8,10-13,15H,2,9,14H2,1H3,(H,25,26)(H2,24,27,28)
InChIKeyYZAIIDWEACFOOM-UHFFFAOYSA-N
MW1345.53 g/mol
LogP15.99
Rot. Bonds23

About 1-[2-[2-[2-[4-(2,2-difluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide

1-[2-[2-[2-[4-(2,2-difluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 123294107) has the molecular formula C73H69F5N8O8S2 and a molecular weight of 1345.53 g/mol. Its IUPAC name is 1-[2-[2-[2-[4-(2,2-difluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound Name1-[2-[2-[2-[4-(2,2-difluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID123294107
Molecular FormulaC73H69F5N8O8S2
Molecular Weight1345.53 g/mol
Exact Mass1344.46
IUPAC Name1-[2-[2-[2-[4-(2,2-difluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(=O)c1ccccc1-c1ccc2nc(CCc3ccc(OCC(C)(F)F)cc3)[nH]c2c1.CCOc1ccc(CCc2nc3ccc(-c4ccccc4NS(=O)(=O)C(F)(F)F)cc3[nH]2)cc1.CCOc1ccc(CCc2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)cc1
InChIInChI=1S/C26H24F2N2O2.C24H22F3N3O3S.C23H23N3O3S/c1-17(31)21-5-3-4-6-22(21)19-10-13-23-24(15-19)30-25(29-23)14-9-18-7-11-20(12-8-18)32-16-26(2,27)28;1-2-33-18-11-7-16(8-12-18)9-14-23-28-21-13-10-17(15-22(21)29-23)19-5-3-4-6-20(19)30-34(31,32)24(25,26)27;1-2-29-18-11-7-16(8-12-18)9-14-23-25-20-13-10-17(15-21(20)26-23)19-5-3-4-6-22(19)30(24,27)28/h3-8,10-13,15H,9,14,16H2,1-2H3,(H,29,30);3-8,10-13,15,30H,2,9,14H2,1H3,(H,28,29);3-8,10-13,15H,2,9,14H2,1H3,(H,25,26)(H2,24,27,28)
InChIKeyYZAIIDWEACFOOM-UHFFFAOYSA-N
XLogP15.99
TPSA237.13 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001345.53
LogP ≤ 515.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 1-[2-[2-[2-[4-(2,2-difluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide with MolForge

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Related Compounds

1-[2-[2-[(E)-2-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 24757995
1-[2-[2-[2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 24758694
1-[2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 24758814
1-[2-[2-[2-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 53345555
1-[2-[2-[2-[4-(2,2-difluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 58381204
1-[2-[2-[2-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 90795266
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
2-[2-[2-(4-ethoxyphenyl)ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-ethoxyphenyl)ethynyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 123268445
1-[2-[2-[(E)-2-[4-(2,2-difluoropropoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-[4-(2,2-difluoropropoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 123275761
2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethynyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 123286737
2-[2-[2-(4-methylsulfonylphenyl)ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-(4-methylsulfonylphenyl)ethynyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;1-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethynyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 123332376
1-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone;N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 123340727

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[4-(2,2-difluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of 1-[2-[2-[2-[4-(2,2-difluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide (CID 123294107) is 1-[2-[2-[2-[4-(2,2-difluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for 1-[2-[2-[2-[4-(2,2-difluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for 1-[2-[2-[2-[4-(2,2-difluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide is CC(=O)c1ccccc1-c1ccc2nc(CCc3ccc(OCC(C)(F)F)cc3)[nH]c2c1.CCOc1ccc(CCc2nc3ccc(-c4ccccc4NS(=O)(=O)C(F)(F)F)cc3[nH]2)cc1.CCOc1ccc(CCc2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)cc1.
What is the InChIKey of 1-[2-[2-[2-[4-(2,2-difluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is YZAIIDWEACFOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N2O2.C24H22F3N3O3S.C23H23N3O3S/c1-17(31)21-5-3-4-6-22(21)19-10-13-23-24(15-19)30-25(29-23)14-9-18-7-11-20(12-8-18)32-16-26(2,27)28;1-2-33-18-11-7-16(8-12-18)9-14-23-28-21-13-10-17(15-22(21)29-23)19-5-3-4-6-20(19)30-34(31,32)24(25,26)27;1-2-29-18-11-7-16(8-12-18)9-14-23-25-20-13-10-17(15-21(20)26-23)19-5-3-4-6-22(19)30(24,27)28/h3-8,10-13,15H,9,14,16H2,1-2H3,(H,29,30);3-8,10-13,15,30H,2,9,14H2,1H3,(H,28,29);3-8,10-13,15H,2,9,14H2,1H3,(H,25,26)(H2,24,27,28).
What are the key properties of 1-[2-[2-[2-[4-(2,2-difluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide?
1-[2-[2-[2-[4-(2,2-difluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 1345.53 g/mol, XLogP of 15.99, 23 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-difluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 123294107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).