1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole

C18H20N2O2 — CID 16997947

IUPAC1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole
SMILESCOCCn1c(COc2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-14-6-5-7-15(12-14)22-13-18-19-16-8-3-4-9-17(16)20(18)10-11-21-2/h3-9,12H,10-11,13H2,1-2H3
InChIKeyOEBKQAWOYMLXMK-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.57
Rot. Bonds6

About 1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole

1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole (PubChem CID 16997947) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole
PubChem CID16997947
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole
SMILESCOCCn1c(COc2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-14-6-5-7-15(12-14)22-13-18-19-16-8-3-4-9-17(16)20(18)10-11-21-2/h3-9,12H,10-11,13H2,1-2H3
InChIKeyOEBKQAWOYMLXMK-UHFFFAOYSA-N
XLogP3.57
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 3287715
2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16997088
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997884
1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997919
2-[(3-methylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16997901
1-[3-(3-methylphenoxy)propyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999387
1-[3-(2,5-dimethylphenoxy)propyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998119
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
2-[(3-methylphenoxy)methyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
CID 16997931
2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16995712
2-[(2,4-dichlorophenoxy)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 16997219

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole (CID 16997947) is 1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole is COCCn1c(COc2cccc(C)c2)nc2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole?
The InChIKey is OEBKQAWOYMLXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-14-6-5-7-15(12-14)22-13-18-19-16-8-3-4-9-17(16)20(18)10-11-21-2/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole?
1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole has a molecular weight of 296.37 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 16997947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).