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

C77H72F9N7O7S — CID 123340727

IUPAC1-[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
SMILESCC(=O)c1ccccc1-c1ccc2nc(CCc3ccc(OC(C)C(F)(F)F)cc3)[nH]c2c1.CC(O)c1ccccc1-c1ccc2nc(CCc3ccc(OC(C)C(F)(F)F)cc3)[nH]c2c1.CC(Oc1ccc(CCc2nc3ccc(-c4ccccc4NS(C)(=O)=O)cc3[nH]2)cc1)C(F)(F)F
InChIInChI=1S/C26H25F3N2O2.C26H23F3N2O2.C25H24F3N3O3S/c2*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/h3-8,10-13,15-17,32H,9,14H2,1-2H3,(H,30,31);3-8,10-13,15,17H,9,14H2,1-2H3,(H,30,31);3-8,10-13,15-16,31H,9,14H2,1-2H3,(H,29,30)
InChIKeyCNWCBYRVZXJPHI-UHFFFAOYSA-N
MW1410.51 g/mol
LogP18.66
Rot. Bonds22

About 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

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 (PubChem CID 123340727) has the molecular formula C77H72F9N7O7S and a molecular weight of 1410.51 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;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.

Molecular Properties

Compound Name1-[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
PubChem CID123340727
Molecular FormulaC77H72F9N7O7S
Molecular Weight1410.51 g/mol
Exact Mass1409.51
IUPAC Name1-[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
SMILESCC(=O)c1ccccc1-c1ccc2nc(CCc3ccc(OC(C)C(F)(F)F)cc3)[nH]c2c1.CC(O)c1ccccc1-c1ccc2nc(CCc3ccc(OC(C)C(F)(F)F)cc3)[nH]c2c1.CC(Oc1ccc(CCc2nc3ccc(-c4ccccc4NS(C)(=O)=O)cc3[nH]2)cc1)C(F)(F)F
InChIInChI=1S/C26H25F3N2O2.C26H23F3N2O2.C25H24F3N3O3S/c2*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/h3-8,10-13,15-17,32H,9,14H2,1-2H3,(H,30,31);3-8,10-13,15,17H,9,14H2,1-2H3,(H,30,31);3-8,10-13,15-16,31H,9,14H2,1-2H3,(H,29,30)
InChIKeyCNWCBYRVZXJPHI-UHFFFAOYSA-N
XLogP18.66
TPSA197.20 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001410.51
LogP ≤ 518.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

2-[4-[[2-[[4-(6-carboxy-1H-benzimidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-3H-benzimidazole-5-carboxylic acid
CID 162675969
[2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 71567943
1-[2-[2-[(E)-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 24757991
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-[(E)-2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 24759689
2-hydroxy-1-{2-[2-(4-trifluoromethyl-phenoxymethyl)-1H-benzoimidazol-5-yl]-phenyl}-propan-1-one
CID 24959078
1-[2-[2-[2-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 53345555
2-hydroxy-1-{2-[2-(4-trifluoromethyl-phenoxymethyl)-1H-benzoimidazol-5-yl]-phenyl}-ethanone
CID 57934952
1-[2-[2-[2-[4-(2,2-difluoropropoxy)phenyl]ethynyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 58381098
1-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 58381115

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;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?
The IUPAC name of 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) is 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.
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;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?
The canonical SMILES for 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 is CC(=O)c1ccccc1-c1ccc2nc(CCc3ccc(OC(C)C(F)(F)F)cc3)[nH]c2c1.CC(O)c1ccccc1-c1ccc2nc(CCc3ccc(OC(C)C(F)(F)F)cc3)[nH]c2c1.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;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?
The InChIKey is CNWCBYRVZXJPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O2.C26H23F3N2O2.C25H24F3N3O3S/c2*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/h3-8,10-13,15-17,32H,9,14H2,1-2H3,(H,30,31);3-8,10-13,15,17H,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;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?
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 has a molecular weight of 1410.51 g/mol, XLogP of 18.66, 22 rotatable bonds, 5 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;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 is sourced from PubChem (CID 123340727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).