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

C21H11Cl3N4O — CID 25235717

IUPAC2-(4-chlorophenyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(-c3ccc4nc(-c5c(Cl)cccc5Cl)[nH]c4c3)o2)cc1
InChIInChI=1S/C21H11Cl3N4O/c22-13-7-4-11(5-8-13)20-27-28-21(29-20)12-6-9-16-17(10-12)26-19(25-16)18-14(23)2-1-3-15(18)24/h1-10H,(H,25,26)
InChIKeyICRPXSWLRUVPCF-UHFFFAOYSA-N
MW441.71 g/mol
LogP6.91
Rot. Bonds3

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

2-(4-chlorophenyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazole (PubChem CID 25235717) has the molecular formula C21H11Cl3N4O and a molecular weight of 441.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazole
PubChem CID25235717
Molecular FormulaC21H11Cl3N4O
Molecular Weight441.71 g/mol
Exact Mass440.00
IUPAC Name2-(4-chlorophenyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(-c3ccc4nc(-c5c(Cl)cccc5Cl)[nH]c4c3)o2)cc1
InChIInChI=1S/C21H11Cl3N4O/c22-13-7-4-11(5-8-13)20-27-28-21(29-20)12-6-9-16-17(10-12)26-19(25-16)18-14(23)2-1-3-15(18)24/h1-10H,(H,25,26)
InChIKeyICRPXSWLRUVPCF-UHFFFAOYSA-N
XLogP6.91
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.71
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazole (CID 25235717) is 2-(4-chlorophenyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazole is Clc1ccc(-c2nnc(-c3ccc4nc(-c5c(Cl)cccc5Cl)[nH]c4c3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazole?
The InChIKey is ICRPXSWLRUVPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Cl3N4O/c22-13-7-4-11(5-8-13)20-27-28-21(29-20)12-6-9-16-17(10-12)26-19(25-16)18-14(23)2-1-3-15(18)24/h1-10H,(H,25,26).
What are the key properties of 2-(4-chlorophenyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazole has a molecular weight of 441.71 g/mol, XLogP of 6.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 25235717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).