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

C23H22N2O3 — CID 16997463

IUPAC2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole
SMILESCOc1ccc(Cn2c(COc3ccccc3OC)nc3ccccc32)cc1
InChIInChI=1S/C23H22N2O3/c1-26-18-13-11-17(12-14-18)15-25-20-8-4-3-7-19(20)24-23(25)16-28-22-10-6-5-9-21(22)27-2/h3-14H,15-16H2,1-2H3
InChIKeyQKQNPDGHIOBYJQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.68
Rot. Bonds7

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

2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole (PubChem CID 16997463) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole
PubChem CID16997463
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole
SMILESCOc1ccc(Cn2c(COc3ccccc3OC)nc3ccccc32)cc1
InChIInChI=1S/C23H22N2O3/c1-26-18-13-11-17(12-14-18)15-25-20-8-4-3-7-19(20)24-23(25)16-28-22-10-6-5-9-21(22)27-2/h3-14H,15-16H2,1-2H3
InChIKeyQKQNPDGHIOBYJQ-UHFFFAOYSA-N
XLogP4.68
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethylphenoxy)methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole
CID 16998336
1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998087
1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997302
1-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995895
1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole
CID 16998195
1-[(4-tert-butylphenyl)methyl]-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997320
1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997714
2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997524
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole
CID 71620987
1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997731
2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 16997380

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole?
The IUPAC name of 2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole (CID 16997463) is 2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole?
The canonical SMILES for 2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole is COc1ccc(Cn2c(COc3ccccc3OC)nc3ccccc32)cc1.
What is the InChIKey of 2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole?
The InChIKey is QKQNPDGHIOBYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-26-18-13-11-17(12-14-18)15-25-20-8-4-3-7-19(20)24-23(25)16-28-22-10-6-5-9-21(22)27-2/h3-14H,15-16H2,1-2H3.
What are the key properties of 2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole?
2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole has a molecular weight of 374.44 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole is sourced from PubChem (CID 16997463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).