2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole

C26H28N2O2 — CID 16998389

IUPAC2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
SMILESCCc1ccc(OCc2nc3ccccc3n2CCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C26H28N2O2/c1-3-21-11-15-23(16-12-21)30-19-26-27-24-7-4-5-8-25(24)28(26)17-6-18-29-22-13-9-20(2)10-14-22/h4-5,7-16H,3,6,17-19H2,1-2H3
InChIKeyBKWJLTQHMDTVLL-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.96
Rot. Bonds9

About 2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole

2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole (PubChem CID 16998389) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
PubChem CID16998389
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
SMILESCCc1ccc(OCc2nc3ccccc3n2CCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C26H28N2O2/c1-3-21-11-15-23(16-12-21)30-19-26-27-24-7-4-5-8-25(24)28(26)17-6-18-29-22-13-9-20(2)10-14-22/h4-5,7-16H,3,6,17-19H2,1-2H3
InChIKeyBKWJLTQHMDTVLL-UHFFFAOYSA-N
XLogP5.96
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997919
1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998302
1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998310
2-[(4-tert-butylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 3848445
1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
CID 16998482
2-[(4-methylphenoxy)methyl]-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16998239
2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride
CID 44654062
4-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]butan-1-amine
CID 94747495
2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 16998345
2-[(4-chlorophenoxy)methyl]-1-[3-(3,5-dimethylphenoxy)propyl]benzimidazole
CID 16997111
1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(4-methylphenoxy)methyl]benzimidazole
CID 16998217

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole?
The IUPAC name of 2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole (CID 16998389) is 2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole is CCc1ccc(OCc2nc3ccccc3n2CCCOc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole?
The InChIKey is BKWJLTQHMDTVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-3-21-11-15-23(16-12-21)30-19-26-27-24-7-4-5-8-25(24)28(26)17-6-18-29-22-13-9-20(2)10-14-22/h4-5,7-16H,3,6,17-19H2,1-2H3.
What are the key properties of 2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole?
2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole has a molecular weight of 400.52 g/mol, XLogP of 5.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole is sourced from PubChem (CID 16998389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).