5-(2-methyl-1-benzofuran-7-yl)-1-(2,4,6-trimethylphenyl)-1,2,4-triazole

C20H19N3O — CID 161174598

IUPAC5-(2-methyl-1-benzofuran-7-yl)-1-(2,4,6-trimethylphenyl)-1,2,4-triazole
SMILESCc1cc(C)c(-n2ncnc2-c2cccc3cc(C)oc23)c(C)c1
InChIInChI=1S/C20H19N3O/c1-12-8-13(2)18(14(3)9-12)23-20(21-11-22-23)17-7-5-6-16-10-15(4)24-19(16)17/h5-11H,1-4H3
InChIKeyZRPSAIXOAHCQEP-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.91
Rot. Bonds2

About 5-(2-methyl-1-benzofuran-7-yl)-1-(2,4,6-trimethylphenyl)-1,2,4-triazole

5-(2-methyl-1-benzofuran-7-yl)-1-(2,4,6-trimethylphenyl)-1,2,4-triazole (PubChem CID 161174598) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-(2-methyl-1-benzofuran-7-yl)-1-(2,4,6-trimethylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-methyl-1-benzofuran-7-yl)-1-(2,4,6-trimethylphenyl)-1,2,4-triazole
PubChem CID161174598
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name5-(2-methyl-1-benzofuran-7-yl)-1-(2,4,6-trimethylphenyl)-1,2,4-triazole
SMILESCc1cc(C)c(-n2ncnc2-c2cccc3cc(C)oc23)c(C)c1
InChIInChI=1S/C20H19N3O/c1-12-8-13(2)18(14(3)9-12)23-20(21-11-22-23)17-7-5-6-16-10-15(4)24-19(16)17/h5-11H,1-4H3
InChIKeyZRPSAIXOAHCQEP-UHFFFAOYSA-N
XLogP4.91
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-1-benzofuran-7-yl)benzene-1,3-diol
CID 143318496
3-(2-methyl-1-benzofuran-7-yl)-1,2-oxazol-5-amine
CID 117305291
5-[2-(2,6-dimethyl-4-phenylphenyl)-1,2,4-triazol-3-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;5-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;5-[2-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;5-[2-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;pentakis(iridium);2-methyl-5-[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide
CID 158834413
7-[4,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-methyl-1,3-benzoxazole
CID 159306750
2-methyl-3-(2-methyl-1-benzofuran-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 142130991
2-methyl-1-benzofuran-7-ol;piperazine
CID 174956498
8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669778
1-(2,6-dimethylphenyl)-5-(4-phenylimidazol-1-id-2-yl)-1,2,4-triazole;iridium
CID 155613275
5-methyl-1-(2,4,6-trimethylphenyl)tetrazole
CID 91441671
2-[5-(2-methyl-1-benzofuran-7-yl)-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol
CID 72902764
[3-[2-(2-methylphenyl)-1,2,4-triazol-3-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 140712954
1-(2,6-dimethylphenyl)-5-[5-(2,6-dimethylphenyl)-1H-imidazol-2-yl]-1,2,4-triazole
CID 155613266

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1-benzofuran-7-yl)-1-(2,4,6-trimethylphenyl)-1,2,4-triazole?
The IUPAC name of 5-(2-methyl-1-benzofuran-7-yl)-1-(2,4,6-trimethylphenyl)-1,2,4-triazole (CID 161174598) is 5-(2-methyl-1-benzofuran-7-yl)-1-(2,4,6-trimethylphenyl)-1,2,4-triazole.
What is the SMILES notation for 5-(2-methyl-1-benzofuran-7-yl)-1-(2,4,6-trimethylphenyl)-1,2,4-triazole?
The canonical SMILES for 5-(2-methyl-1-benzofuran-7-yl)-1-(2,4,6-trimethylphenyl)-1,2,4-triazole is Cc1cc(C)c(-n2ncnc2-c2cccc3cc(C)oc23)c(C)c1.
What is the InChIKey of 5-(2-methyl-1-benzofuran-7-yl)-1-(2,4,6-trimethylphenyl)-1,2,4-triazole?
The InChIKey is ZRPSAIXOAHCQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-12-8-13(2)18(14(3)9-12)23-20(21-11-22-23)17-7-5-6-16-10-15(4)24-19(16)17/h5-11H,1-4H3.
What are the key properties of 5-(2-methyl-1-benzofuran-7-yl)-1-(2,4,6-trimethylphenyl)-1,2,4-triazole?
5-(2-methyl-1-benzofuran-7-yl)-1-(2,4,6-trimethylphenyl)-1,2,4-triazole has a molecular weight of 317.39 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1-benzofuran-7-yl)-1-(2,4,6-trimethylphenyl)-1,2,4-triazole is sourced from PubChem (CID 161174598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).