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

C18H13N5O — CID 53172689

IUPAC5-(1H-indol-6-yl)-3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCn1cnc2ccc(-c3noc(-c4ccc5cc[nH]c5c4)n3)cc21
InChIInChI=1S/C18H13N5O/c1-23-10-20-14-5-4-12(9-16(14)23)17-21-18(24-22-17)13-3-2-11-6-7-19-15(11)8-13/h2-10,19H,1H3
InChIKeyHGBVZIWNLHKATE-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.77
Rot. Bonds2

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

5-(1H-indol-6-yl)-3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazole (PubChem CID 53172689) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is 5-(1H-indol-6-yl)-3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-indol-6-yl)-3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
PubChem CID53172689
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC Name5-(1H-indol-6-yl)-3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCn1cnc2ccc(-c3noc(-c4ccc5cc[nH]c5c4)n3)cc21
InChIInChI=1S/C18H13N5O/c1-23-10-20-14-5-4-12(9-16(14)23)17-21-18(24-22-17)13-3-2-11-6-7-19-15(11)8-13/h2-10,19H,1H3
InChIKeyHGBVZIWNLHKATE-UHFFFAOYSA-N
XLogP3.77
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-6-yl)-3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-indol-6-yl)-3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazole (CID 53172689) is 5-(1H-indol-6-yl)-3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-indol-6-yl)-3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-indol-6-yl)-3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazole is Cn1cnc2ccc(-c3noc(-c4ccc5cc[nH]c5c4)n3)cc21.
What is the InChIKey of 5-(1H-indol-6-yl)-3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is HGBVZIWNLHKATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c1-23-10-20-14-5-4-12(9-16(14)23)17-21-18(24-22-17)13-3-2-11-6-7-19-15(11)8-13/h2-10,19H,1H3.
What are the key properties of 5-(1H-indol-6-yl)-3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazole?
5-(1H-indol-6-yl)-3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 315.34 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-6-yl)-3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53172689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).