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

C24H24N2O3 — CID 16997731

IUPAC1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole
SMILESCOc1ccccc1OCCn1c(COc2ccccc2C)nc2ccccc21
InChIInChI=1S/C24H24N2O3/c1-18-9-3-6-12-21(18)29-17-24-25-19-10-4-5-11-20(19)26(24)15-16-28-23-14-8-7-13-22(23)27-2/h3-14H,15-17H2,1-2H3
InChIKeyWJVZLDHXOKTXLE-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.01
Rot. Bonds8

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

1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole (PubChem CID 16997731) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole
PubChem CID16997731
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole
SMILESCOc1ccccc1OCCn1c(COc2ccccc2C)nc2ccccc21
InChIInChI=1S/C24H24N2O3/c1-18-9-3-6-12-21(18)29-17-24-25-19-10-4-5-11-20(19)26(24)15-16-28-23-14-8-7-13-22(23)27-2/h3-14H,15-17H2,1-2H3
InChIKeyWJVZLDHXOKTXLE-UHFFFAOYSA-N
XLogP5.01
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 16998345
1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996113
1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997784
2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997524
2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole
CID 16997332
1-[3-(3,5-dimethylphenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997760
3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 16995480
1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(2-methoxyphenoxy)methyl]benzimidazole
CID 16997494
1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997763
ethenyl-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]azanium
CID 7574612
1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine
CID 2984464
2-[(2-methoxyphenoxy)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 16997505

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole (CID 16997731) is 1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole is COc1ccccc1OCCn1c(COc2ccccc2C)nc2ccccc21.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole?
The InChIKey is WJVZLDHXOKTXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-18-9-3-6-12-21(18)29-17-24-25-19-10-4-5-11-20(19)26(24)15-16-28-23-14-8-7-13-22(23)27-2/h3-14H,15-17H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole?
1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole has a molecular weight of 388.47 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 16997731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).