4-imidazol-1-yl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide

C14H11F3N6O — CID 171679272

IUPAC4-imidazol-1-yl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide
SMILESCn1nc(C(F)(F)F)nc1NC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H11F3N6O/c1-22-13(20-12(21-22)14(15,16)17)19-11(24)9-2-4-10(5-3-9)23-7-6-18-8-23/h2-8H,1H3,(H,19,20,21,24)
InChIKeyIZDZUNLLBZLYQU-UHFFFAOYSA-N
MW336.28 g/mol
LogP2.27
Rot. Bonds3

About 4-imidazol-1-yl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide

4-imidazol-1-yl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide (PubChem CID 171679272) has the molecular formula C14H11F3N6O and a molecular weight of 336.28 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide
PubChem CID171679272
Molecular FormulaC14H11F3N6O
Molecular Weight336.28 g/mol
Exact Mass336.09
IUPAC Name4-imidazol-1-yl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide
SMILESCn1nc(C(F)(F)F)nc1NC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H11F3N6O/c1-22-13(20-12(21-22)14(15,16)17)19-11(24)9-2-4-10(5-3-9)23-7-6-18-8-23/h2-8H,1H3,(H,19,20,21,24)
InChIKeyIZDZUNLLBZLYQU-UHFFFAOYSA-N
XLogP2.27
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrrolo[1,2-b]pyridazine-6-carboxamide
CID 171679265
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide
CID 171679266
3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide
CID 171679215
N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride
CID 23044294
2,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 171679218
2,2,2-trifluoro-N-(4-imidazol-1-ylphenyl)acetamide
CID 110470971
4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 110445417
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
N-(2-aminophenyl)-4-imidazol-1-ylbenzamide
CID 110484015
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 171679225
4-imidazol-1-yl-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide
CID 166435239
4-imidazol-1-yl-N-(6-methoxy-3-pyridinyl)benzamide
CID 31532934

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 4-imidazol-1-yl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide (CID 171679272) is 4-imidazol-1-yl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 4-imidazol-1-yl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide is Cn1nc(C(F)(F)F)nc1NC(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-imidazol-1-yl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide?
The InChIKey is IZDZUNLLBZLYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6O/c1-22-13(20-12(21-22)14(15,16)17)19-11(24)9-2-4-10(5-3-9)23-7-6-18-8-23/h2-8H,1H3,(H,19,20,21,24).
What are the key properties of 4-imidazol-1-yl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide?
4-imidazol-1-yl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide has a molecular weight of 336.28 g/mol, XLogP of 2.27, 3 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-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 171679272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).