3-(2-methoxyethyl)-6-methyl-1H-benzimidazol-2-one

C11H14N2O2 — CID 59144622

IUPAC3-(2-methoxyethyl)-6-methyl-1H-benzimidazol-2-one
SMILESCOCCn1c(=O)[nH]c2cc(C)ccc21
InChIInChI=1S/C11H14N2O2/c1-8-3-4-10-9(7-8)12-11(14)13(10)5-6-15-2/h3-4,7H,5-6H2,1-2H3,(H,12,14)
InChIKeyZVOPWAMWFMSCNP-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.28
Rot. Bonds3

About 3-(2-methoxyethyl)-6-methyl-1H-benzimidazol-2-one

3-(2-methoxyethyl)-6-methyl-1H-benzimidazol-2-one (PubChem CID 59144622) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-6-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-6-methyl-1H-benzimidazol-2-one
PubChem CID59144622
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name3-(2-methoxyethyl)-6-methyl-1H-benzimidazol-2-one
SMILESCOCCn1c(=O)[nH]c2cc(C)ccc21
InChIInChI=1S/C11H14N2O2/c1-8-3-4-10-9(7-8)12-11(14)13(10)5-6-15-2/h3-4,7H,5-6H2,1-2H3,(H,12,14)
InChIKeyZVOPWAMWFMSCNP-UHFFFAOYSA-N
XLogP1.28
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-6-methyl-1H-benzimidazol-2-one?
The IUPAC name of 3-(2-methoxyethyl)-6-methyl-1H-benzimidazol-2-one (CID 59144622) is 3-(2-methoxyethyl)-6-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2-methoxyethyl)-6-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2-methoxyethyl)-6-methyl-1H-benzimidazol-2-one is COCCn1c(=O)[nH]c2cc(C)ccc21.
What is the InChIKey of 3-(2-methoxyethyl)-6-methyl-1H-benzimidazol-2-one?
The InChIKey is ZVOPWAMWFMSCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-3-4-10-9(7-8)12-11(14)13(10)5-6-15-2/h3-4,7H,5-6H2,1-2H3,(H,12,14).
What are the key properties of 3-(2-methoxyethyl)-6-methyl-1H-benzimidazol-2-one?
3-(2-methoxyethyl)-6-methyl-1H-benzimidazol-2-one has a molecular weight of 206.24 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-6-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 59144622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).