6-(2,5-dimethylphenoxy)-1-methyl-2-[(4-methylphenoxy)methyl]benzimidazole

C24H24N2O2 — CID 144679006

IUPAC6-(2,5-dimethylphenoxy)-1-methyl-2-[(4-methylphenoxy)methyl]benzimidazole
SMILESCc1ccc(OCc2nc3ccc(Oc4cc(C)ccc4C)cc3n2C)cc1
InChIInChI=1S/C24H24N2O2/c1-16-6-9-19(10-7-16)27-15-24-25-21-12-11-20(14-22(21)26(24)4)28-23-13-17(2)5-8-18(23)3/h5-14H,15H2,1-4H3
InChIKeyXJIJCRGIIJDENX-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.87
Rot. Bonds5

About 6-(2,5-dimethylphenoxy)-1-methyl-2-[(4-methylphenoxy)methyl]benzimidazole

6-(2,5-dimethylphenoxy)-1-methyl-2-[(4-methylphenoxy)methyl]benzimidazole (PubChem CID 144679006) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-(2,5-dimethylphenoxy)-1-methyl-2-[(4-methylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name6-(2,5-dimethylphenoxy)-1-methyl-2-[(4-methylphenoxy)methyl]benzimidazole
PubChem CID144679006
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name6-(2,5-dimethylphenoxy)-1-methyl-2-[(4-methylphenoxy)methyl]benzimidazole
SMILESCc1ccc(OCc2nc3ccc(Oc4cc(C)ccc4C)cc3n2C)cc1
InChIInChI=1S/C24H24N2O2/c1-16-6-9-19(10-7-16)27-15-24-25-21-12-11-20(14-22(21)26(24)4)28-23-13-17(2)5-8-18(23)3/h5-14H,15H2,1-4H3
InChIKeyXJIJCRGIIJDENX-UHFFFAOYSA-N
XLogP5.87
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline
CID 144678945
4-[3-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxyphenyl]morpholine
CID 144678920
methyl 3-[[1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methoxy]benzoate
CID 68661526
[1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methanol
CID 68661416
methyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 68661421
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole
CID 46310370
4-[3-methyl-2-[(4-methylphenoxy)methyl]benzimidazol-5-yl]oxy-N-propan-2-ylaniline;1,3-thiazolidine-2,4-dione
CID 144678867
3-[[6-(4-fluoro-2-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68662065
3-[[6-(3-fluoro-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68662136
6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole
CID 46310363
2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole
CID 16997079
5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione
CID 158315106

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenoxy)-1-methyl-2-[(4-methylphenoxy)methyl]benzimidazole?
The IUPAC name of 6-(2,5-dimethylphenoxy)-1-methyl-2-[(4-methylphenoxy)methyl]benzimidazole (CID 144679006) is 6-(2,5-dimethylphenoxy)-1-methyl-2-[(4-methylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 6-(2,5-dimethylphenoxy)-1-methyl-2-[(4-methylphenoxy)methyl]benzimidazole?
The canonical SMILES for 6-(2,5-dimethylphenoxy)-1-methyl-2-[(4-methylphenoxy)methyl]benzimidazole is Cc1ccc(OCc2nc3ccc(Oc4cc(C)ccc4C)cc3n2C)cc1.
What is the InChIKey of 6-(2,5-dimethylphenoxy)-1-methyl-2-[(4-methylphenoxy)methyl]benzimidazole?
The InChIKey is XJIJCRGIIJDENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-16-6-9-19(10-7-16)27-15-24-25-21-12-11-20(14-22(21)26(24)4)28-23-13-17(2)5-8-18(23)3/h5-14H,15H2,1-4H3.
What are the key properties of 6-(2,5-dimethylphenoxy)-1-methyl-2-[(4-methylphenoxy)methyl]benzimidazole?
6-(2,5-dimethylphenoxy)-1-methyl-2-[(4-methylphenoxy)methyl]benzimidazole has a molecular weight of 372.47 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenoxy)-1-methyl-2-[(4-methylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 144679006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).