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

C23H18N4O3 — CID 118624494

IUPAC3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccc(-c4nc5ccc(OC)cc5[nH]4)cc3)no2)cc1
InChIInChI=1S/C23H18N4O3/c1-28-17-9-7-16(8-10-17)23-26-22(27-30-23)15-5-3-14(4-6-15)21-24-19-12-11-18(29-2)13-20(19)25-21/h3-13H,1-2H3,(H,24,25)
InChIKeyDJRYYXJRIKWMHQ-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.96
Rot. Bonds5

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

3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 118624494) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID118624494
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccc(-c4nc5ccc(OC)cc5[nH]4)cc3)no2)cc1
InChIInChI=1S/C23H18N4O3/c1-28-17-9-7-16(8-10-17)23-26-22(27-30-23)15-5-3-14(4-6-15)21-24-19-12-11-18(29-2)13-20(19)25-21/h3-13H,1-2H3,(H,24,25)
InChIKeyDJRYYXJRIKWMHQ-UHFFFAOYSA-N
XLogP4.96
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-(3,5-dimethoxyphenyl)-3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole
CID 118624693
4-(6-methoxy-1H-benzimidazol-2-yl)benzoate
CID 86674000
3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 118624363
6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole
CID 114821621
3-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole;tris(3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole);3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole
CID 157457529
3-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 118624443
6-methoxy-2-(1-methylpyridin-1-ium-4-yl)-1H-benzimidazole iodide
CID 142671163
6-methoxy-2-(4-nitrophenyl)-1H-benzimidazole
CID 10563883
2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017648
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
3-(6-methoxy-1H-benzimidazol-2-yl)aniline
CID 754001
5-(6-methoxy-1H-benzimidazol-2-yl)pyridin-3-ol
CID 65017825

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 118624494) is 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3ccc(-c4nc5ccc(OC)cc5[nH]4)cc3)no2)cc1.
What is the InChIKey of 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is DJRYYXJRIKWMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-28-17-9-7-16(8-10-17)23-26-22(27-30-23)15-5-3-14(4-6-15)21-24-19-12-11-18(29-2)13-20(19)25-21/h3-13H,1-2H3,(H,24,25).
What are the key properties of 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 398.42 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 118624494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).