6-(methoxymethoxy)-1H-benzimidazole

C9H10N2O2 — CID 141171013

IUPAC6-(methoxymethoxy)-1H-benzimidazole
SMILESCOCOc1ccc2nc[nH]c2c1
InChIInChI=1S/C9H10N2O2/c1-12-6-13-7-2-3-8-9(4-7)11-5-10-8/h2-5H,6H2,1H3,(H,10,11)
InChIKeyAXPSPPXCWYWFRA-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.55
Rot. Bonds3

About 6-(methoxymethoxy)-1H-benzimidazole

6-(methoxymethoxy)-1H-benzimidazole (PubChem CID 141171013) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-(methoxymethoxy)-1H-benzimidazole.

Molecular Properties

Compound Name6-(methoxymethoxy)-1H-benzimidazole
PubChem CID141171013
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name6-(methoxymethoxy)-1H-benzimidazole
SMILESCOCOc1ccc2nc[nH]c2c1
InChIInChI=1S/C9H10N2O2/c1-12-6-13-7-2-3-8-9(4-7)11-5-10-8/h2-5H,6H2,1H3,(H,10,11)
InChIKeyAXPSPPXCWYWFRA-UHFFFAOYSA-N
XLogP1.55
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethoxy)-1H-benzimidazole?
The IUPAC name of 6-(methoxymethoxy)-1H-benzimidazole (CID 141171013) is 6-(methoxymethoxy)-1H-benzimidazole.
What is the SMILES notation for 6-(methoxymethoxy)-1H-benzimidazole?
The canonical SMILES for 6-(methoxymethoxy)-1H-benzimidazole is COCOc1ccc2nc[nH]c2c1.
What is the InChIKey of 6-(methoxymethoxy)-1H-benzimidazole?
The InChIKey is AXPSPPXCWYWFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-12-6-13-7-2-3-8-9(4-7)11-5-10-8/h2-5H,6H2,1H3,(H,10,11).
What are the key properties of 6-(methoxymethoxy)-1H-benzimidazole?
6-(methoxymethoxy)-1H-benzimidazole has a molecular weight of 178.19 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethoxy)-1H-benzimidazole is sourced from PubChem (CID 141171013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).