2-hydroxy-5-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide

C20H15F3N6O2 — CID 118710484

IUPAC2-hydroxy-5-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCn1cncc1-c1cn(-c2ccc(O)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)nn1
InChIInChI=1S/C20H15F3N6O2/c1-28-11-24-9-17(28)16-10-29(27-26-16)14-5-6-18(30)15(8-14)19(31)25-13-4-2-3-12(7-13)20(21,22)23/h2-11,30H,1H3,(H,25,31)
InChIKeySMRZTJWNGJEYMF-UHFFFAOYSA-N
MW428.37 g/mol
LogP3.64
Rot. Bonds4

About 2-hydroxy-5-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide

2-hydroxy-5-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 118710484) has the molecular formula C20H15F3N6O2 and a molecular weight of 428.37 g/mol. Its IUPAC name is 2-hydroxy-5-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID118710484
Molecular FormulaC20H15F3N6O2
Molecular Weight428.37 g/mol
Exact Mass428.12
IUPAC Name2-hydroxy-5-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCn1cncc1-c1cn(-c2ccc(O)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)nn1
InChIInChI=1S/C20H15F3N6O2/c1-28-11-24-9-17(28)16-10-29(27-26-16)14-5-6-18(30)15(8-14)19(31)25-13-4-2-3-12(7-13)20(21,22)23/h2-11,30H,1H3,(H,25,31)
InChIKeySMRZTJWNGJEYMF-UHFFFAOYSA-N
XLogP3.64
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-hydroxy-5-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 118710484) is 2-hydroxy-5-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-hydroxy-5-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide is Cn1cncc1-c1cn(-c2ccc(O)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)nn1.
What is the InChIKey of 2-hydroxy-5-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is SMRZTJWNGJEYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O2/c1-28-11-24-9-17(28)16-10-29(27-26-16)14-5-6-18(30)15(8-14)19(31)25-13-4-2-3-12(7-13)20(21,22)23/h2-11,30H,1H3,(H,25,31).
What are the key properties of 2-hydroxy-5-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
2-hydroxy-5-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 428.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 118710484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).