5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole

C₁₉H₁₇ClN₄O₂ — CID 53030938

About 5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole

5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole (PubChem CID 53030938) has the molecular formula C₁₉H₁₇ClN₄O₂ and a molecular weight of 368.82 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
• PubChem CID: 53030938
• Molecular Formula: C₁₉H₁₇ClN₄O₂
• Molecular Weight: 368.82 g/mol
• Exact Mass: 368.10
• IUPAC Name: 5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
• SMILES: CCCn1cnc2cc(-c3noc(COc4ccc(Cl)cc4)n3)ccc21
• InChI: InChI=1S/C19H17ClN4O2/c1-2-9-24-12-21-16-10-13(3-8-17(16)24)19-22-18(26-23-19)11-25-15-6-4-14(20)5-7-15/h3-8,10,12H,2,9,11H2,1H3
• InChIKey: GSEVWGFPDLEVNH-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 65.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.82
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole?

The IUPAC name of 5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole (CID 53030938) is 5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole.

What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole?

The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole is CCCn1cnc2cc(-c3noc(COc4ccc(Cl)cc4)n3)ccc21.

What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole?

The InChIKey is GSEVWGFPDLEVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-2-9-24-12-21-16-10-13(3-8-17(16)24)19-22-18(26-23-19)11-25-15-6-4-14(20)5-7-15/h3-8,10,12H,2,9,11H2,1H3.

What are the key properties of 5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole?

5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 368.82 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53030938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 53030938 — identifiers, structure, computed properties (public domain)

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