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

C24H20N4O4 — CID 118624693

IUPAC5-(3,5-dimethoxyphenyl)-3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nc(-c3ccc(-c4nc5ccc(OC)cc5[nH]4)cc3)no2)c1
InChIInChI=1S/C24H20N4O4/c1-29-17-8-9-20-21(13-17)26-22(25-20)14-4-6-15(7-5-14)23-27-24(32-28-23)16-10-18(30-2)12-19(11-16)31-3/h4-13H,1-3H3,(H,25,26)
InChIKeyYNBMZGHSIBDNLX-UHFFFAOYSA-N
MW428.45 g/mol
LogP4.97
Rot. Bonds6

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

5-(3,5-dimethoxyphenyl)-3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 118624693) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenyl)-3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole
PubChem CID118624693
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name5-(3,5-dimethoxyphenyl)-3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nc(-c3ccc(-c4nc5ccc(OC)cc5[nH]4)cc3)no2)c1
InChIInChI=1S/C24H20N4O4/c1-29-17-8-9-20-21(13-17)26-22(25-20)14-4-6-15(7-5-14)23-27-24(32-28-23)16-10-18(30-2)12-19(11-16)31-3/h4-13H,1-3H3,(H,25,26)
InChIKeyYNBMZGHSIBDNLX-UHFFFAOYSA-N
XLogP4.97
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 118624494
4-(6-methoxy-1H-benzimidazol-2-yl)benzoate
CID 86674000
6-methoxy-2-(4-nitrophenyl)-1H-benzimidazole
CID 10563883
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
6-methoxy-2-(1-methylpyridin-1-ium-4-yl)-1H-benzimidazole iodide
CID 142671163
2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017648
3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 118624363
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
5-(3,5-ditert-butylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143910337
3-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 118624443
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenyl)-3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3,5-dimethoxyphenyl)-3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole (CID 118624693) is 5-(3,5-dimethoxyphenyl)-3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,5-dimethoxyphenyl)-3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,5-dimethoxyphenyl)-3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole is COc1cc(OC)cc(-c2nc(-c3ccc(-c4nc5ccc(OC)cc5[nH]4)cc3)no2)c1.
What is the InChIKey of 5-(3,5-dimethoxyphenyl)-3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is YNBMZGHSIBDNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-29-17-8-9-20-21(13-17)26-22(25-20)14-4-6-15(7-5-14)23-27-24(32-28-23)16-10-18(30-2)12-19(11-16)31-3/h4-13H,1-3H3,(H,25,26).
What are the key properties of 5-(3,5-dimethoxyphenyl)-3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole?
5-(3,5-dimethoxyphenyl)-3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 428.45 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenyl)-3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 118624693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).