1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole

C26H28N2O3 — CID 16997784

IUPAC1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole
SMILESCOc1cccc(OCCCCn2c(COc3ccccc3C)nc3ccccc32)c1
InChIInChI=1S/C26H28N2O3/c1-20-10-3-6-15-25(20)31-19-26-27-23-13-4-5-14-24(23)28(26)16-7-8-17-30-22-12-9-11-21(18-22)29-2/h3-6,9-15,18H,7-8,16-17,19H2,1-2H3
InChIKeyODKOURUDFASYRX-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.79
Rot. Bonds10

About 1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole

1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole (PubChem CID 16997784) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole
PubChem CID16997784
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole
SMILESCOc1cccc(OCCCCn2c(COc3ccccc3C)nc3ccccc32)c1
InChIInChI=1S/C26H28N2O3/c1-20-10-3-6-15-25(20)31-19-26-27-23-13-4-5-14-24(23)28(26)16-7-8-17-30-22-12-9-11-21(18-22)29-2/h3-6,9-15,18H,7-8,16-17,19H2,1-2H3
InChIKeyODKOURUDFASYRX-UHFFFAOYSA-N
XLogP5.79
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dimethylphenoxy)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16998028
2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16996931
1-[4-(3-methoxyphenoxy)butyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997655
1-[3-(3,5-dimethylphenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997760
1-[3-(2,5-dimethylphenoxy)propyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998119
2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997524
1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996152
2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol
CID 19242415
2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996440
2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole
CID 17001768
1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997763
1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997731

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole (CID 16997784) is 1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole is COc1cccc(OCCCCn2c(COc3ccccc3C)nc3ccccc32)c1.
What is the InChIKey of 1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole?
The InChIKey is ODKOURUDFASYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-20-10-3-6-15-25(20)31-19-26-27-23-13-4-5-14-24(23)28(26)16-7-8-17-30-22-12-9-11-21(18-22)29-2/h3-6,9-15,18H,7-8,16-17,19H2,1-2H3.
What are the key properties of 1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole?
1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole has a molecular weight of 416.52 g/mol, XLogP of 5.79, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 16997784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).