2-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methoxyphenoxy]methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole

C24H18Cl2N4O4 — CID 166593583

IUPAC2-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methoxyphenoxy]methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)ccc1OCc1nnc(-c2ccccc2OC)o1
InChIInChI=1S/C24H18Cl2N4O4/c1-31-19-6-4-3-5-14(19)24-30-29-22(34-24)12-33-20-8-7-13(9-21(20)32-2)23-27-17-10-15(25)16(26)11-18(17)28-23/h3-11H,12H2,1-2H3,(H,27,28)
InChIKeyLBYNGTIVRAQULG-UHFFFAOYSA-N
MW497.34 g/mol
LogP6.18
Rot. Bonds7

About 2-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methoxyphenoxy]methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole

2-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methoxyphenoxy]methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 166593583) has the molecular formula C24H18Cl2N4O4 and a molecular weight of 497.34 g/mol. Its IUPAC name is 2-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methoxyphenoxy]methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methoxyphenoxy]methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID166593583
Molecular FormulaC24H18Cl2N4O4
Molecular Weight497.34 g/mol
Exact Mass496.07
IUPAC Name2-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methoxyphenoxy]methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)ccc1OCc1nnc(-c2ccccc2OC)o1
InChIInChI=1S/C24H18Cl2N4O4/c1-31-19-6-4-3-5-14(19)24-30-29-22(34-24)12-33-20-8-7-13(9-21(20)32-2)23-27-17-10-15(25)16(26)11-18(17)28-23/h3-11H,12H2,1-2H3,(H,27,28)
InChIKeyLBYNGTIVRAQULG-UHFFFAOYSA-N
XLogP6.18
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.34
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methoxyphenoxy]methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methoxyphenoxy]methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole (CID 166593583) is 2-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methoxyphenoxy]methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methoxyphenoxy]methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methoxyphenoxy]methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole is COc1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)ccc1OCc1nnc(-c2ccccc2OC)o1.
What is the InChIKey of 2-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methoxyphenoxy]methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is LBYNGTIVRAQULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N4O4/c1-31-19-6-4-3-5-14(19)24-30-29-22(34-24)12-33-20-8-7-13(9-21(20)32-2)23-27-17-10-15(25)16(26)11-18(17)28-23/h3-11H,12H2,1-2H3,(H,27,28).
What are the key properties of 2-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methoxyphenoxy]methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole?
2-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methoxyphenoxy]methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 497.34 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methoxyphenoxy]methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 166593583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).