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

C26H28N2O2 — CID 16997919

IUPAC1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole
SMILESCCc1ccc(OCCCn2c(COc3cccc(C)c3)nc3ccccc32)cc1
InChIInChI=1S/C26H28N2O2/c1-3-21-12-14-22(15-13-21)29-17-7-16-28-25-11-5-4-10-24(25)27-26(28)19-30-23-9-6-8-20(2)18-23/h4-6,8-15,18H,3,7,16-17,19H2,1-2H3
InChIKeyXSOQXZTYAZGEDU-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.96
Rot. Bonds9

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

1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole (PubChem CID 16997919) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole
PubChem CID16997919
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole
SMILESCCc1ccc(OCCCn2c(COc3cccc(C)c3)nc3ccccc32)cc1
InChIInChI=1S/C26H28N2O2/c1-3-21-12-14-22(15-13-21)29-17-7-16-28-25-11-5-4-10-24(25)27-26(28)19-30-23-9-6-8-20(2)18-23/h4-6,8-15,18H,3,7,16-17,19H2,1-2H3
InChIKeyXSOQXZTYAZGEDU-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

2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16998389
1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 3287715
1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998302
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16997088
1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998310
1-[3-(3-methylphenoxy)propyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999387
1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997947
1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
CID 16998482
2-[(4-chlorophenoxy)methyl]-1-[3-(3,5-dimethylphenoxy)propyl]benzimidazole
CID 16997111
2-[(3-methylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16997901

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole (CID 16997919) is 1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole is CCc1ccc(OCCCn2c(COc3cccc(C)c3)nc3ccccc32)cc1.
What is the InChIKey of 1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole?
The InChIKey is XSOQXZTYAZGEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-3-21-12-14-22(15-13-21)29-17-7-16-28-25-11-5-4-10-24(25)27-26(28)19-30-23-9-6-8-20(2)18-23/h4-6,8-15,18H,3,7,16-17,19H2,1-2H3.
What are the key properties of 1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole?
1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]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 1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 16997919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).