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

C22H14Cl2N4O2 — CID 25235767

IUPAC2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccc4nc(-c5c(Cl)cccc5Cl)[nH]c4c3)o2)cc1
InChIInChI=1S/C22H14Cl2N4O2/c1-29-14-8-5-12(6-9-14)21-27-28-22(30-21)13-7-10-17-18(11-13)26-20(25-17)19-15(23)3-2-4-16(19)24/h2-11H,1H3,(H,25,26)
InChIKeyNWQFRYDNKKARGS-UHFFFAOYSA-N
MW437.29 g/mol
LogP6.26
Rot. Bonds4

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

2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 25235767) has the molecular formula C22H14Cl2N4O2 and a molecular weight of 437.29 g/mol. Its IUPAC name is 2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID25235767
Molecular FormulaC22H14Cl2N4O2
Molecular Weight437.29 g/mol
Exact Mass436.05
IUPAC Name2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccc4nc(-c5c(Cl)cccc5Cl)[nH]c4c3)o2)cc1
InChIInChI=1S/C22H14Cl2N4O2/c1-29-14-8-5-12(6-9-14)21-27-28-22(30-21)13-7-10-17-18(11-13)26-20(25-17)19-15(23)3-2-4-16(19)24/h2-11H,1H3,(H,25,26)
InChIKeyNWQFRYDNKKARGS-UHFFFAOYSA-N
XLogP6.26
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.29
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 25235767) is 2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3ccc4nc(-c5c(Cl)cccc5Cl)[nH]c4c3)o2)cc1.
What is the InChIKey of 2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is NWQFRYDNKKARGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N4O2/c1-29-14-8-5-12(6-9-14)21-27-28-22(30-21)13-7-10-17-18(11-13)26-20(25-17)19-15(23)3-2-4-16(19)24/h2-11H,1H3,(H,25,26).
What are the key properties of 2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 437.29 g/mol, XLogP of 6.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 25235767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).