3-(3H-benzimidazol-5-yl)-5-(1H-indol-6-yl)-1,2,4-oxadiazole

C17H11N5O — CID 122180478

IUPAC3-(3H-benzimidazol-5-yl)-5-(1H-indol-6-yl)-1,2,4-oxadiazole
SMILESc1cc2ccc(-c3nc(-c4ccc5nc[nH]c5c4)no3)cc2[nH]1
InChIInChI=1S/C17H11N5O/c1-2-12(8-14-10(1)5-6-18-14)17-21-16(22-23-17)11-3-4-13-15(7-11)20-9-19-13/h1-9,18H,(H,19,20)
InChIKeyQNKGRRRFDZSYTH-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.76
Rot. Bonds2

About 3-(3H-benzimidazol-5-yl)-5-(1H-indol-6-yl)-1,2,4-oxadiazole

3-(3H-benzimidazol-5-yl)-5-(1H-indol-6-yl)-1,2,4-oxadiazole (PubChem CID 122180478) has the molecular formula C17H11N5O and a molecular weight of 301.31 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-5-(1H-indol-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-5-(1H-indol-6-yl)-1,2,4-oxadiazole
PubChem CID122180478
Molecular FormulaC17H11N5O
Molecular Weight301.31 g/mol
Exact Mass301.10
IUPAC Name3-(3H-benzimidazol-5-yl)-5-(1H-indol-6-yl)-1,2,4-oxadiazole
SMILESc1cc2ccc(-c3nc(-c4ccc5nc[nH]c5c4)no3)cc2[nH]1
InChIInChI=1S/C17H11N5O/c1-2-12(8-14-10(1)5-6-18-14)17-21-16(22-23-17)11-3-4-13-15(7-11)20-9-19-13/h1-9,18H,(H,19,20)
InChIKeyQNKGRRRFDZSYTH-UHFFFAOYSA-N
XLogP3.76
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-5-(1H-indol-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-5-(1H-indol-6-yl)-1,2,4-oxadiazole (CID 122180478) is 3-(3H-benzimidazol-5-yl)-5-(1H-indol-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-5-(1H-indol-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-5-(1H-indol-6-yl)-1,2,4-oxadiazole is c1cc2ccc(-c3nc(-c4ccc5nc[nH]c5c4)no3)cc2[nH]1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-5-(1H-indol-6-yl)-1,2,4-oxadiazole?
The InChIKey is QNKGRRRFDZSYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O/c1-2-12(8-14-10(1)5-6-18-14)17-21-16(22-23-17)11-3-4-13-15(7-11)20-9-19-13/h1-9,18H,(H,19,20).
What are the key properties of 3-(3H-benzimidazol-5-yl)-5-(1H-indol-6-yl)-1,2,4-oxadiazole?
3-(3H-benzimidazol-5-yl)-5-(1H-indol-6-yl)-1,2,4-oxadiazole has a molecular weight of 301.31 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-5-(1H-indol-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 122180478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).