1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole

C24H24N2O2 — CID 17001717

IUPAC1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole
SMILESCOc1cccc(-c2nc3ccccc3n2CCOc2c(C)cccc2C)c1
InChIInChI=1S/C24H24N2O2/c1-17-8-6-9-18(2)23(17)28-15-14-26-22-13-5-4-12-21(22)25-24(26)19-10-7-11-20(16-19)27-3/h4-13,16H,14-15H2,1-3H3
InChIKeyQMOHFGDUSIFIPJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.41
Rot. Bonds6

About 1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole

1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole (PubChem CID 17001717) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole.

Molecular Properties

Compound Name1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole
PubChem CID17001717
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole
SMILESCOc1cccc(-c2nc3ccccc3n2CCOc2c(C)cccc2C)c1
InChIInChI=1S/C24H24N2O2/c1-17-8-6-9-18(2)23(17)28-15-14-26-22-13-5-4-12-21(22)25-24(26)19-10-7-11-20(16-19)27-3/h4-13,16H,14-15H2,1-3H3
InChIKeyQMOHFGDUSIFIPJ-UHFFFAOYSA-N
XLogP5.41
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole
CID 17001768
1-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001335
1-butyl-2-(3-methoxyphenyl)benzimidazole
CID 17001670
2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 17001320
2-(3-methoxyphenyl)-1-pentylbenzimidazole
CID 17001673
2-(3-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 17001765
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propanethioamide
CID 94756511
1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000783
2-(4-methoxyphenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879179
1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001690
2-(2-fluorophenyl)-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole
CID 19243301

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole?
The IUPAC name of 1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole (CID 17001717) is 1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole.
What is the SMILES notation for 1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole?
The canonical SMILES for 1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole is COc1cccc(-c2nc3ccccc3n2CCOc2c(C)cccc2C)c1.
What is the InChIKey of 1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole?
The InChIKey is QMOHFGDUSIFIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-17-8-6-9-18(2)23(17)28-15-14-26-22-13-5-4-12-21(22)25-24(26)19-10-7-11-20(16-19)27-3/h4-13,16H,14-15H2,1-3H3.
What are the key properties of 1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole?
1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole has a molecular weight of 372.47 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole is sourced from PubChem (CID 17001717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).