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

C17H13ClN4O — CID 53030877

IUPAC5-(4-chlorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCCn1cnc2cc(-c3noc(-c4ccc(Cl)cc4)n3)ccc21
InChIInChI=1S/C17H13ClN4O/c1-2-22-10-19-14-9-12(5-8-15(14)22)16-20-17(23-21-16)11-3-6-13(18)7-4-11/h3-10H,2H2,1H3
InChIKeyZBBKCVGTZSTXCV-UHFFFAOYSA-N
MW324.77 g/mol
LogP4.43
Rot. Bonds3

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

5-(4-chlorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole (PubChem CID 53030877) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
PubChem CID53030877
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name5-(4-chlorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCCn1cnc2cc(-c3noc(-c4ccc(Cl)cc4)n3)ccc21
InChIInChI=1S/C17H13ClN4O/c1-2-22-10-19-14-9-12(5-8-15(14)22)16-20-17(23-21-16)11-3-6-13(18)7-4-11/h3-10H,2H2,1H3
InChIKeyZBBKCVGTZSTXCV-UHFFFAOYSA-N
XLogP4.43
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chlorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole (CID 53030877) is 5-(4-chlorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole is CCn1cnc2cc(-c3noc(-c4ccc(Cl)cc4)n3)ccc21.
What is the InChIKey of 5-(4-chlorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is ZBBKCVGTZSTXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c1-2-22-10-19-14-9-12(5-8-15(14)22)16-20-17(23-21-16)11-3-6-13(18)7-4-11/h3-10H,2H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole?
5-(4-chlorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 324.77 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53030877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).