1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole

C19H22N2O2 — CID 16996918

IUPAC1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole
SMILESCOCc1nc2ccccc2n1CCOc1ccc(C)c(C)c1
InChIInChI=1S/C19H22N2O2/c1-14-8-9-16(12-15(14)2)23-11-10-21-18-7-5-4-6-17(18)20-19(21)13-22-3/h4-9,12H,10-11,13H2,1-3H3
InChIKeyDBQZCRTZLRQAEL-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.88
Rot. Bonds6

About 1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole

1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole (PubChem CID 16996918) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole
PubChem CID16996918
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole
SMILESCOCc1nc2ccccc2n1CCOc1ccc(C)c(C)c1
InChIInChI=1S/C19H22N2O2/c1-14-8-9-16(12-15(14)2)23-11-10-21-18-7-5-4-6-17(18)20-19(21)13-22-3/h4-9,12H,10-11,13H2,1-3H3
InChIKeyDBQZCRTZLRQAEL-UHFFFAOYSA-N
XLogP3.88
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995937
(2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 27408285
2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 3287715
2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride
CID 44654062
2-benzyl-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16995599
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999253
1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16975018
2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16996931
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997884
2-[(2,4-dichlorophenoxy)methyl]-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16997226
1-[3-(3,4-dimethylphenoxy)propyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997636

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole?
The IUPAC name of 1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole (CID 16996918) is 1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole.
What is the SMILES notation for 1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole?
The canonical SMILES for 1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole is COCc1nc2ccccc2n1CCOc1ccc(C)c(C)c1.
What is the InChIKey of 1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole?
The InChIKey is DBQZCRTZLRQAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-8-9-16(12-15(14)2)23-11-10-21-18-7-5-4-6-17(18)20-19(21)13-22-3/h4-9,12H,10-11,13H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole?
1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole has a molecular weight of 310.40 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole is sourced from PubChem (CID 16996918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).