2-[4-(5-thiophen-3-ylbenzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide

C26H18F3N3OS — CID 171345477

IUPAC2-[4-(5-thiophen-3-ylbenzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnc3cc(-c4ccsc4)ccc32)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H18F3N3OS/c27-26(28,29)20-2-1-3-21(14-20)31-25(33)12-17-4-7-22(8-5-17)32-16-30-23-13-18(6-9-24(23)32)19-10-11-34-15-19/h1-11,13-16H,12H2,(H,31,33)
InChIKeyUUOLCUOQNSRILY-UHFFFAOYSA-N
MW477.51 g/mol
LogP6.95
Rot. Bonds5

About 2-[4-(5-thiophen-3-ylbenzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[4-(5-thiophen-3-ylbenzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 171345477) has the molecular formula C26H18F3N3OS and a molecular weight of 477.51 g/mol. Its IUPAC name is 2-[4-(5-thiophen-3-ylbenzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-thiophen-3-ylbenzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID171345477
Molecular FormulaC26H18F3N3OS
Molecular Weight477.51 g/mol
Exact Mass477.11
IUPAC Name2-[4-(5-thiophen-3-ylbenzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnc3cc(-c4ccsc4)ccc32)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H18F3N3OS/c27-26(28,29)20-2-1-3-21(14-20)31-25(33)12-17-4-7-22(8-5-17)32-16-30-23-13-18(6-9-24(23)32)19-10-11-34-15-19/h1-11,13-16H,12H2,(H,31,33)
InChIKeyUUOLCUOQNSRILY-UHFFFAOYSA-N
XLogP6.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.51
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-thiophen-3-ylbenzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(5-thiophen-3-ylbenzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 171345477) is 2-[4-(5-thiophen-3-ylbenzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(5-thiophen-3-ylbenzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(5-thiophen-3-ylbenzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(-n2cnc3cc(-c4ccsc4)ccc32)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(5-thiophen-3-ylbenzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UUOLCUOQNSRILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N3OS/c27-26(28,29)20-2-1-3-21(14-20)31-25(33)12-17-4-7-22(8-5-17)32-16-30-23-13-18(6-9-24(23)32)19-10-11-34-15-19/h1-11,13-16H,12H2,(H,31,33).
What are the key properties of 2-[4-(5-thiophen-3-ylbenzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[4-(5-thiophen-3-ylbenzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 477.51 g/mol, XLogP of 6.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-thiophen-3-ylbenzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 171345477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).