5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-one

C11H10N4O2 — CID 118303086

IUPAC5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(-c3nnc(C)o3)c2c1
InChIInChI=1S/C11H10N4O2/c1-6-3-4-8-9(5-6)15(10(16)12-8)11-14-13-7(2)17-11/h3-5H,1-2H3,(H,12,16)
InChIKeyUUMLQBHHPMLEIA-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.32
Rot. Bonds1

About 5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-one

5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-one (PubChem CID 118303086) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-one
PubChem CID118303086
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(-c3nnc(C)o3)c2c1
InChIInChI=1S/C11H10N4O2/c1-6-3-4-8-9(5-6)15(10(16)12-8)11-14-13-7(2)17-11/h3-5H,1-2H3,(H,12,16)
InChIKeyUUMLQBHHPMLEIA-UHFFFAOYSA-N
XLogP1.32
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-one?
The IUPAC name of 5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-one (CID 118303086) is 5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-one is Cc1ccc2[nH]c(=O)n(-c3nnc(C)o3)c2c1.
What is the InChIKey of 5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-one?
The InChIKey is UUMLQBHHPMLEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-6-3-4-8-9(5-6)15(10(16)12-8)11-14-13-7(2)17-11/h3-5H,1-2H3,(H,12,16).
What are the key properties of 5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-one?
5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-one has a molecular weight of 230.23 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 118303086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).