2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole

C20H24N2O2 — CID 17000405

IUPAC2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
SMILESCOc1ccc(OCCn2c(C(C)(C)C)nc3ccccc32)cc1
InChIInChI=1S/C20H24N2O2/c1-20(2,3)19-21-17-7-5-6-8-18(17)22(19)13-14-24-16-11-9-15(23-4)10-12-16/h5-12H,13-14H2,1-4H3
InChIKeyKXCUUCFYLNXDBC-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.42
Rot. Bonds5

About 2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole

2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole (PubChem CID 17000405) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
PubChem CID17000405
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
SMILESCOc1ccc(OCCn2c(C(C)(C)C)nc3ccccc32)cc1
InChIInChI=1S/C20H24N2O2/c1-20(2,3)19-21-17-7-5-6-8-18(17)22(19)13-14-24-16-11-9-15(23-4)10-12-16/h5-12H,13-14H2,1-4H3
InChIKeyKXCUUCFYLNXDBC-UHFFFAOYSA-N
XLogP4.42
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]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-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine
CID 82359465
1-[2-(4-methoxyphenoxy)ethyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999685
1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole
CID 611619
2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-2-ol
CID 17027789
2-(2,4-dimethylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16987578
N-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide
CID 3744978
4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]benzonitrile
CID 35503113
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole
CID 6040576
2-(4-methoxyphenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879179
1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
CID 16998482
2-tert-butyl-1-pentylbenzimidazole
CID 17000368

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole (CID 17000405) is 2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole is COc1ccc(OCCn2c(C(C)(C)C)nc3ccccc32)cc1.
What is the InChIKey of 2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole?
The InChIKey is KXCUUCFYLNXDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-20(2,3)19-21-17-7-5-6-8-18(17)22(19)13-14-24-16-11-9-15(23-4)10-12-16/h5-12H,13-14H2,1-4H3.
What are the key properties of 2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole?
2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole has a molecular weight of 324.42 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 17000405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).