2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole

C20H24N2O — CID 46310807

IUPAC2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole
SMILESCc1ccc(OCc2nc3ccccc3n2CC(C)C)c(C)c1
InChIInChI=1S/C20H24N2O/c1-14(2)12-22-18-8-6-5-7-17(18)21-20(22)13-23-19-10-9-15(3)11-16(19)4/h5-11,14H,12-13H2,1-4H3
InChIKeyWWKAMNZAMUOLST-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.89
Rot. Bonds5

About 2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole

2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole (PubChem CID 46310807) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole.

Molecular Properties

Compound Name2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole
PubChem CID46310807
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole
SMILESCc1ccc(OCc2nc3ccccc3n2CC(C)C)c(C)c1
InChIInChI=1S/C20H24N2O/c1-14(2)12-22-18-8-6-5-7-17(18)21-20(22)13-23-19-10-9-15(3)11-16(19)4/h5-11,14H,12-13H2,1-4H3
InChIKeyWWKAMNZAMUOLST-UHFFFAOYSA-N
XLogP4.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dimethylphenoxy)methyl]-1-(3-methylbutyl)benzimidazole
CID 18878149
1-[2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]-3-(4-ethylphenoxy)propan-2-ol
CID 156620787
1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 962244
2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole
CID 709669
2-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]acetonitrile
CID 39151486
1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole
CID 16996509
1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878080
1-(4-methylphenoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 156620697
2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116677
1-[4-(2,6-dimethylphenoxy)butyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997646
1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996115
1-heptyl-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997577

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole?
The IUPAC name of 2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole (CID 46310807) is 2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole.
What is the SMILES notation for 2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole?
The canonical SMILES for 2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole is Cc1ccc(OCc2nc3ccccc3n2CC(C)C)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole?
The InChIKey is WWKAMNZAMUOLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14(2)12-22-18-8-6-5-7-17(18)21-20(22)13-23-19-10-9-15(3)11-16(19)4/h5-11,14H,12-13H2,1-4H3.
What are the key properties of 2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole?
2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole has a molecular weight of 308.43 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole is sourced from PubChem (CID 46310807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).