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

C12H12N4O3 — CID 72896401

IUPAC3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one
SMILESCOCc1noc(Cn2c(=O)[nH]c3ccccc32)n1
InChIInChI=1S/C12H12N4O3/c1-18-7-10-14-11(19-15-10)6-16-9-5-3-2-4-8(9)13-12(16)17/h2-5H,6-7H2,1H3,(H,13,17)
InChIKeyIUVATYLLYYZNJJ-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.91
Rot. Bonds4

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

3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one (PubChem CID 72896401) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one
PubChem CID72896401
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one
SMILESCOCc1noc(Cn2c(=O)[nH]c3ccccc32)n1
InChIInChI=1S/C12H12N4O3/c1-18-7-10-14-11(19-15-10)6-16-9-5-3-2-4-8(9)13-12(16)17/h2-5H,6-7H2,1H3,(H,13,17)
InChIKeyIUVATYLLYYZNJJ-UHFFFAOYSA-N
XLogP0.91
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one (CID 72896401) is 3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one is COCc1noc(Cn2c(=O)[nH]c3ccccc32)n1.
What is the InChIKey of 3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one?
The InChIKey is IUVATYLLYYZNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-18-7-10-14-11(19-15-10)6-16-9-5-3-2-4-8(9)13-12(16)17/h2-5H,6-7H2,1H3,(H,13,17).
What are the key properties of 3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one?
3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one has a molecular weight of 260.25 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 72896401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).