4-imidazol-1-yl-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide

C19H13F3N6O — CID 166435239

IUPAC4-imidazol-1-yl-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H13F3N6O/c20-19(21,22)16-9-14(3-6-17(16)28-12-24-10-25-28)26-18(29)13-1-4-15(5-2-13)27-8-7-23-11-27/h1-12H,(H,26,29)
InChIKeyWQXBIPZOVKPHEH-UHFFFAOYSA-N
MW398.35 g/mol
LogP3.72
Rot. Bonds4

About 4-imidazol-1-yl-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide

4-imidazol-1-yl-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 166435239) has the molecular formula C19H13F3N6O and a molecular weight of 398.35 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide
PubChem CID166435239
Molecular FormulaC19H13F3N6O
Molecular Weight398.35 g/mol
Exact Mass398.11
IUPAC Name4-imidazol-1-yl-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H13F3N6O/c20-19(21,22)16-9-14(3-6-17(16)28-12-24-10-25-28)26-18(29)13-1-4-15(5-2-13)27-8-7-23-11-27/h1-12H,(H,26,29)
InChIKeyWQXBIPZOVKPHEH-UHFFFAOYSA-N
XLogP3.72
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-3-hydroxy-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]benzamide
CID 20597281
4-hydroxy-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 126785668
5-(cyclopropanecarbonylamino)-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 86876244
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 121112592
N-[4-(1,2,4-triazol-1-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 37120372
4-bromo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 3274734
4-imidazol-1-yl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide
CID 171679272
2-[5-[(4-imidazol-1-ylbenzoyl)amino]indol-1-yl]acetic acid
CID 75445751
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide
CID 59631754
1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-3-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]urea
CID 124851627
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 55813445
2,2,2-trifluoro-N-(4-imidazol-1-ylphenyl)acetamide
CID 110470971

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-imidazol-1-yl-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide (CID 166435239) is 4-imidazol-1-yl-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-imidazol-1-yl-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-imidazol-1-yl-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is WQXBIPZOVKPHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6O/c20-19(21,22)16-9-14(3-6-17(16)28-12-24-10-25-28)26-18(29)13-1-4-15(5-2-13)27-8-7-23-11-27/h1-12H,(H,26,29).
What are the key properties of 4-imidazol-1-yl-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide?
4-imidazol-1-yl-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 398.35 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 166435239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).