1-ethyl-2-[(2-methoxyphenoxy)methyl]benzimidazole

C17H18N2O2 — CID 687911

IUPAC1-ethyl-2-[(2-methoxyphenoxy)methyl]benzimidazole
SMILESCCn1c(COc2ccccc2OC)nc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-3-19-14-9-5-4-8-13(14)18-17(19)12-21-16-11-7-6-10-15(16)20-2/h4-11H,3,12H2,1-2H3
InChIKeyOBRZBXSLWYFEJS-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.64
Rot. Bonds5

About 1-ethyl-2-[(2-methoxyphenoxy)methyl]benzimidazole

1-ethyl-2-[(2-methoxyphenoxy)methyl]benzimidazole (PubChem CID 687911) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-ethyl-2-[(2-methoxyphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[(2-methoxyphenoxy)methyl]benzimidazole
PubChem CID687911
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-ethyl-2-[(2-methoxyphenoxy)methyl]benzimidazole
SMILESCCn1c(COc2ccccc2OC)nc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-3-19-14-9-5-4-8-13(14)18-17(19)12-21-16-11-7-6-10-15(16)20-2/h4-11H,3,12H2,1-2H3
InChIKeyOBRZBXSLWYFEJS-UHFFFAOYSA-N
XLogP3.64
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-methoxyphenoxy)methyl]benzimidazole?
The IUPAC name of 1-ethyl-2-[(2-methoxyphenoxy)methyl]benzimidazole (CID 687911) is 1-ethyl-2-[(2-methoxyphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-ethyl-2-[(2-methoxyphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-ethyl-2-[(2-methoxyphenoxy)methyl]benzimidazole is CCn1c(COc2ccccc2OC)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-[(2-methoxyphenoxy)methyl]benzimidazole?
The InChIKey is OBRZBXSLWYFEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-19-14-9-5-4-8-13(14)18-17(19)12-21-16-11-7-6-10-15(16)20-2/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-ethyl-2-[(2-methoxyphenoxy)methyl]benzimidazole?
1-ethyl-2-[(2-methoxyphenoxy)methyl]benzimidazole has a molecular weight of 282.34 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2-methoxyphenoxy)methyl]benzimidazole is sourced from PubChem (CID 687911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).