4-[2-(4-methylphenyl)-1-benzofuran-3-yl]-5-phenyl-2H-triazole

C23H17N3O — CID 138393037

IUPAC4-[2-(4-methylphenyl)-1-benzofuran-3-yl]-5-phenyl-2H-triazole
SMILESCc1ccc(-c2oc3ccccc3c2-c2n[nH]nc2-c2ccccc2)cc1
InChIInChI=1S/C23H17N3O/c1-15-11-13-17(14-12-15)23-20(18-9-5-6-10-19(18)27-23)22-21(24-26-25-22)16-7-3-2-4-8-16/h2-14H,1H3,(H,24,25,26)
InChIKeyPJXGRAUURCMEDT-UHFFFAOYSA-N
MW351.41 g/mol
LogP5.86
Rot. Bonds3

About 4-[2-(4-methylphenyl)-1-benzofuran-3-yl]-5-phenyl-2H-triazole

4-[2-(4-methylphenyl)-1-benzofuran-3-yl]-5-phenyl-2H-triazole (PubChem CID 138393037) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)-1-benzofuran-3-yl]-5-phenyl-2H-triazole.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)-1-benzofuran-3-yl]-5-phenyl-2H-triazole
PubChem CID138393037
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name4-[2-(4-methylphenyl)-1-benzofuran-3-yl]-5-phenyl-2H-triazole
SMILESCc1ccc(-c2oc3ccccc3c2-c2n[nH]nc2-c2ccccc2)cc1
InChIInChI=1S/C23H17N3O/c1-15-11-13-17(14-12-15)23-20(18-9-5-6-10-19(18)27-23)22-21(24-26-25-22)16-7-3-2-4-8-16/h2-14H,1H3,(H,24,25,26)
InChIKeyPJXGRAUURCMEDT-UHFFFAOYSA-N
XLogP5.86
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(4-methylphenyl)-1-benzofuran-3-yl]-5-phenyl-2H-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,11-bis(4-methylphenyl)indeno[1,2-c]chromene
CID 71490854
4,5-diphenyl-2H-triazole
CID 613500
3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran
CID 135057387
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran
CID 121336223
2,3-bis(4-fluorophenyl)-1-benzofuran
CID 71732324
2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid
CID 70599531
3-(6-methylquinolin-2-yl)-2-phenylchromen-4-one
CID 164519667
CID 59413433
CID 59413433
4-[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]phenol
CID 139612412
2,6-ditert-butyl-4-(2-phenyl-1-benzofuran-3-yl)phenol
CID 12618650
2-methyl-3-(4-methylphenyl)-4,5-diphenylfuran
CID 15024793
1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
CID 63641898

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)-1-benzofuran-3-yl]-5-phenyl-2H-triazole?
The IUPAC name of 4-[2-(4-methylphenyl)-1-benzofuran-3-yl]-5-phenyl-2H-triazole (CID 138393037) is 4-[2-(4-methylphenyl)-1-benzofuran-3-yl]-5-phenyl-2H-triazole.
What is the SMILES notation for 4-[2-(4-methylphenyl)-1-benzofuran-3-yl]-5-phenyl-2H-triazole?
The canonical SMILES for 4-[2-(4-methylphenyl)-1-benzofuran-3-yl]-5-phenyl-2H-triazole is Cc1ccc(-c2oc3ccccc3c2-c2n[nH]nc2-c2ccccc2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)-1-benzofuran-3-yl]-5-phenyl-2H-triazole?
The InChIKey is PJXGRAUURCMEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c1-15-11-13-17(14-12-15)23-20(18-9-5-6-10-19(18)27-23)22-21(24-26-25-22)16-7-3-2-4-8-16/h2-14H,1H3,(H,24,25,26).
What are the key properties of 4-[2-(4-methylphenyl)-1-benzofuran-3-yl]-5-phenyl-2H-triazole?
4-[2-(4-methylphenyl)-1-benzofuran-3-yl]-5-phenyl-2H-triazole has a molecular weight of 351.41 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)-1-benzofuran-3-yl]-5-phenyl-2H-triazole is sourced from PubChem (CID 138393037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).