1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole

C23H22N2O2 — CID 16998195

IUPAC1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole
SMILESCOc1ccccc1Cn1c(COc2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C23H22N2O2/c1-17-11-13-19(14-12-17)27-16-23-24-20-8-4-5-9-21(20)25(23)15-18-7-3-6-10-22(18)26-2/h3-14H,15-16H2,1-2H3
InChIKeyMSNSGPURCJSSOD-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.98
Rot. Bonds6

About 1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole

1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole (PubChem CID 16998195) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole
PubChem CID16998195
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole
SMILESCOc1ccccc1Cn1c(COc2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C23H22N2O2/c1-17-11-13-19(14-12-17)27-16-23-24-20-8-4-5-9-21(20)25(23)15-18-7-3-6-10-22(18)26-2/h3-14H,15-16H2,1-2H3
InChIKeyMSNSGPURCJSSOD-UHFFFAOYSA-N
XLogP4.98
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethylphenoxy)methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole
CID 16998336
1-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995895
2-[(4-methylphenoxy)methyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
CID 16998189
2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 16997463
1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 940002
3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole
CID 78766650
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
4-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]butan-1-amine
CID 94747495
2-[(4-tert-butylphenoxy)methyl]-1-[(2-fluorophenyl)methyl]benzimidazole
CID 16998729
N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 4880410
2-(2,5-dimethylphenoxy)-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978639
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole (CID 16998195) is 1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole is COc1ccccc1Cn1c(COc2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole?
The InChIKey is MSNSGPURCJSSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17-11-13-19(14-12-17)27-16-23-24-20-8-4-5-9-21(20)25(23)15-18-7-3-6-10-22(18)26-2/h3-14H,15-16H2,1-2H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole?
1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole has a molecular weight of 358.44 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 16998195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).