3-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-1,2,4-oxadiazole

C15H9ClN4O — CID 122180502

IUPAC3-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1
InChIInChI=1S/C15H9ClN4O/c16-11-4-1-9(2-5-11)15-19-14(20-21-15)10-3-6-12-13(7-10)18-8-17-12/h1-8H,(H,17,18)
InChIKeyKYGBWCBTIJLPCN-UHFFFAOYSA-N
MW296.72 g/mol
LogP3.93
Rot. Bonds2

About 3-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-1,2,4-oxadiazole

3-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-1,2,4-oxadiazole (PubChem CID 122180502) has the molecular formula C15H9ClN4O and a molecular weight of 296.72 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-1,2,4-oxadiazole
PubChem CID122180502
Molecular FormulaC15H9ClN4O
Molecular Weight296.72 g/mol
Exact Mass296.05
IUPAC Name3-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1
InChIInChI=1S/C15H9ClN4O/c16-11-4-1-9(2-5-11)15-19-14(20-21-15)10-3-6-12-13(7-10)18-8-17-12/h1-8H,(H,17,18)
InChIKeyKYGBWCBTIJLPCN-UHFFFAOYSA-N
XLogP3.93
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-1,2,4-oxadiazole (CID 122180502) is 3-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-1,2,4-oxadiazole is Clc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-1,2,4-oxadiazole?
The InChIKey is KYGBWCBTIJLPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O/c16-11-4-1-9(2-5-11)15-19-14(20-21-15)10-3-6-12-13(7-10)18-8-17-12/h1-8H,(H,17,18).
What are the key properties of 3-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-1,2,4-oxadiazole?
3-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-1,2,4-oxadiazole has a molecular weight of 296.72 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 122180502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).