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

C24H24N2O2 — CID 16997881

IUPAC1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
SMILESCc1cccc(OCCn2c(COc3cccc(C)c3)nc3ccccc32)c1
InChIInChI=1S/C24H24N2O2/c1-18-7-5-9-20(15-18)27-14-13-26-23-12-4-3-11-22(23)25-24(26)17-28-21-10-6-8-19(2)16-21/h3-12,15-16H,13-14,17H2,1-2H3
InChIKeyGGVOCHUFZRRIIT-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.31
Rot. Bonds7

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

1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole (PubChem CID 16997881) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
PubChem CID16997881
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
SMILESCc1cccc(OCCn2c(COc3cccc(C)c3)nc3ccccc32)c1
InChIInChI=1S/C24H24N2O2/c1-18-7-5-9-20(15-18)27-14-13-26-23-12-4-3-11-22(23)25-24(26)17-28-21-10-6-8-19(2)16-21/h3-12,15-16H,13-14,17H2,1-2H3
InChIKeyGGVOCHUFZRRIIT-UHFFFAOYSA-N
XLogP5.31
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997947
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
2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 3287715
1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997919
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
1-[3-(3-methylphenoxy)propyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999387
2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16995712
2-[(3-methylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16997901
2-[(4-tert-butylphenoxy)methyl]-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole
CID 16998746
2-[(2,4-dichlorophenoxy)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 16997219
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 18878535

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole (CID 16997881) is 1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole is Cc1cccc(OCCn2c(COc3cccc(C)c3)nc3ccccc32)c1.
What is the InChIKey of 1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole?
The InChIKey is GGVOCHUFZRRIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-18-7-5-9-20(15-18)27-14-13-26-23-12-4-3-11-22(23)25-24(26)17-28-21-10-6-8-19(2)16-21/h3-12,15-16H,13-14,17H2,1-2H3.
What are the key properties of 1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole?
1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole has a molecular weight of 372.47 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 16997881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).