2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide

C23H16F3N3O3S — CID 24759481

IUPAC2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide
SMILESNC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C23H16F3N3O3S/c24-23(25,26)33(31,32)16-9-5-14(6-10-16)7-12-21-28-19-11-8-15(13-20(19)29-21)17-3-1-2-4-18(17)22(27)30/h1-13H,(H2,27,30)(H,28,29)/b12-7+
InChIKeyOLKNKHWLUXGMMW-KPKJPENVSA-N
MW471.46 g/mol
LogP4.79
Rot. Bonds5

About 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide

2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide (PubChem CID 24759481) has the molecular formula C23H16F3N3O3S and a molecular weight of 471.46 g/mol. Its IUPAC name is 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide
PubChem CID24759481
Molecular FormulaC23H16F3N3O3S
Molecular Weight471.46 g/mol
Exact Mass471.09
IUPAC Name2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide
SMILESNC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C23H16F3N3O3S/c24-23(25,26)33(31,32)16-9-5-14(6-10-16)7-12-21-28-19-11-8-15(13-20(19)29-21)17-3-1-2-4-18(17)22(27)30/h1-13H,(H2,27,30)(H,28,29)/b12-7+
InChIKeyOLKNKHWLUXGMMW-KPKJPENVSA-N
XLogP4.79
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.46
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide (CID 24759481) is 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide is NC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide?
The InChIKey is OLKNKHWLUXGMMW-KPKJPENVSA-N. The full InChI is InChI=1S/C23H16F3N3O3S/c24-23(25,26)33(31,32)16-9-5-14(6-10-16)7-12-21-28-19-11-8-15(13-20(19)29-21)17-3-1-2-4-18(17)22(27)30/h1-13H,(H2,27,30)(H,28,29)/b12-7+.
What are the key properties of 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide?
2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide has a molecular weight of 471.46 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 24759481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).