2-(3H-benzimidazol-5-yl)-5-[2-(1,3-benzodioxol-5-yl)ethyl]-1,3,4-oxadiazole

C18H14N4O3 — CID 58433225

IUPAC2-(3H-benzimidazol-5-yl)-5-[2-(1,3-benzodioxol-5-yl)ethyl]-1,3,4-oxadiazole
SMILESc1nc2ccc(-c3nnc(CCc4ccc5c(c4)OCO5)o3)cc2[nH]1
InChIInChI=1S/C18H14N4O3/c1-5-15-16(24-10-23-15)7-11(1)2-6-17-21-22-18(25-17)12-3-4-13-14(8-12)20-9-19-13/h1,3-5,7-9H,2,6,10H2,(H,19,20)
InChIKeyAEGRFYUMJDULKE-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.13
Rot. Bonds4

About 2-(3H-benzimidazol-5-yl)-5-[2-(1,3-benzodioxol-5-yl)ethyl]-1,3,4-oxadiazole

2-(3H-benzimidazol-5-yl)-5-[2-(1,3-benzodioxol-5-yl)ethyl]-1,3,4-oxadiazole (PubChem CID 58433225) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-5-[2-(1,3-benzodioxol-5-yl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-5-[2-(1,3-benzodioxol-5-yl)ethyl]-1,3,4-oxadiazole
PubChem CID58433225
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name2-(3H-benzimidazol-5-yl)-5-[2-(1,3-benzodioxol-5-yl)ethyl]-1,3,4-oxadiazole
SMILESc1nc2ccc(-c3nnc(CCc4ccc5c(c4)OCO5)o3)cc2[nH]1
InChIInChI=1S/C18H14N4O3/c1-5-15-16(24-10-23-15)7-11(1)2-6-17-21-22-18(25-17)12-3-4-13-14(8-12)20-9-19-13/h1,3-5,7-9H,2,6,10H2,(H,19,20)
InChIKeyAEGRFYUMJDULKE-UHFFFAOYSA-N
XLogP3.13
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-5-[2-(1,3-benzodioxol-5-yl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-5-[2-(1,3-benzodioxol-5-yl)ethyl]-1,3,4-oxadiazole (CID 58433225) is 2-(3H-benzimidazol-5-yl)-5-[2-(1,3-benzodioxol-5-yl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-5-[2-(1,3-benzodioxol-5-yl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-5-[2-(1,3-benzodioxol-5-yl)ethyl]-1,3,4-oxadiazole is c1nc2ccc(-c3nnc(CCc4ccc5c(c4)OCO5)o3)cc2[nH]1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-5-[2-(1,3-benzodioxol-5-yl)ethyl]-1,3,4-oxadiazole?
The InChIKey is AEGRFYUMJDULKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-5-15-16(24-10-23-15)7-11(1)2-6-17-21-22-18(25-17)12-3-4-13-14(8-12)20-9-19-13/h1,3-5,7-9H,2,6,10H2,(H,19,20).
What are the key properties of 2-(3H-benzimidazol-5-yl)-5-[2-(1,3-benzodioxol-5-yl)ethyl]-1,3,4-oxadiazole?
2-(3H-benzimidazol-5-yl)-5-[2-(1,3-benzodioxol-5-yl)ethyl]-1,3,4-oxadiazole has a molecular weight of 334.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-5-[2-(1,3-benzodioxol-5-yl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 58433225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).