4-[3-(7-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)pyrrolidin-2-one

C18H21N5O2 — CID 155948786

IUPAC4-[3-(7-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCc1cc(-c2noc(C3CC(=O)N(CC(C)C)C3)n2)cc2[nH]cnc12
InChIInChI=1S/C18H21N5O2/c1-10(2)7-23-8-13(6-15(23)24)18-21-17(22-25-18)12-4-11(3)16-14(5-12)19-9-20-16/h4-5,9-10,13H,6-8H2,1-3H3,(H,19,20)
InChIKeyWVVVGNPIIPQQIY-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.89
Rot. Bonds4

About 4-[3-(7-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)pyrrolidin-2-one

4-[3-(7-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 155948786) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[3-(7-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(7-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID155948786
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[3-(7-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCc1cc(-c2noc(C3CC(=O)N(CC(C)C)C3)n2)cc2[nH]cnc12
InChIInChI=1S/C18H21N5O2/c1-10(2)7-23-8-13(6-15(23)24)18-21-17(22-25-18)12-4-11(3)16-14(5-12)19-9-20-16/h4-5,9-10,13H,6-8H2,1-3H3,(H,19,20)
InChIKeyWVVVGNPIIPQQIY-UHFFFAOYSA-N
XLogP2.89
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(7-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-[3-(7-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)pyrrolidin-2-one (CID 155948786) is 4-[3-(7-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(7-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-[3-(7-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)pyrrolidin-2-one is Cc1cc(-c2noc(C3CC(=O)N(CC(C)C)C3)n2)cc2[nH]cnc12.
What is the InChIKey of 4-[3-(7-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is WVVVGNPIIPQQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-10(2)7-23-8-13(6-15(23)24)18-21-17(22-25-18)12-4-11(3)16-14(5-12)19-9-20-16/h4-5,9-10,13H,6-8H2,1-3H3,(H,19,20).
What are the key properties of 4-[3-(7-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)pyrrolidin-2-one?
4-[3-(7-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 339.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(7-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 155948786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).