5-(4-methoxy-3-methylphenyl)-3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole

C24H20N4O2 — CID 118631911

IUPAC5-(4-methoxy-3-methylphenyl)-3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)no2)cc1C
InChIInChI=1S/C24H20N4O2/c1-14-4-10-19-20(12-14)26-22(25-19)16-5-7-17(8-6-16)23-27-24(30-28-23)18-9-11-21(29-3)15(2)13-18/h4-13H,1-3H3,(H,25,26)
InChIKeyFGAIOPRJDONKOU-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.57
Rot. Bonds4

About 5-(4-methoxy-3-methylphenyl)-3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole

5-(4-methoxy-3-methylphenyl)-3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 118631911) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 5-(4-methoxy-3-methylphenyl)-3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methoxy-3-methylphenyl)-3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole
PubChem CID118631911
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name5-(4-methoxy-3-methylphenyl)-3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)no2)cc1C
InChIInChI=1S/C24H20N4O2/c1-14-4-10-19-20(12-14)26-22(25-19)16-5-7-17(8-6-16)23-27-24(30-28-23)18-9-11-21(29-3)15(2)13-18/h4-13H,1-3H3,(H,25,26)
InChIKeyFGAIOPRJDONKOU-UHFFFAOYSA-N
XLogP5.57
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-methoxy-3-methylphenyl)-3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-methylphenyl)-3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methoxy-3-methylphenyl)-3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole (CID 118631911) is 5-(4-methoxy-3-methylphenyl)-3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methoxy-3-methylphenyl)-3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methoxy-3-methylphenyl)-3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)no2)cc1C.
What is the InChIKey of 5-(4-methoxy-3-methylphenyl)-3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is FGAIOPRJDONKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-14-4-10-19-20(12-14)26-22(25-19)16-5-7-17(8-6-16)23-27-24(30-28-23)18-9-11-21(29-3)15(2)13-18/h4-13H,1-3H3,(H,25,26).
What are the key properties of 5-(4-methoxy-3-methylphenyl)-3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole?
5-(4-methoxy-3-methylphenyl)-3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 396.45 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-methylphenyl)-3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 118631911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).