2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole

C25H26N2O3 — CID 16997524

IUPAC2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
SMILESCOc1ccccc1OCc1nc2ccccc2n1CCCCOc1ccccc1
InChIInChI=1S/C25H26N2O3/c1-28-23-15-7-8-16-24(23)30-19-25-26-21-13-5-6-14-22(21)27(25)17-9-10-18-29-20-11-3-2-4-12-20/h2-8,11-16H,9-10,17-19H2,1H3
InChIKeyPFKSDOIOZBFANU-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.48
Rot. Bonds10

About 2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole

2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole (PubChem CID 16997524) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole.

Molecular Properties

Compound Name2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
PubChem CID16997524
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
SMILESCOc1ccccc1OCc1nc2ccccc2n1CCCCOc1ccccc1
InChIInChI=1S/C25H26N2O3/c1-28-23-15-7-8-16-24(23)30-19-25-26-21-13-5-6-14-22(21)27(25)17-9-10-18-29-20-11-3-2-4-12-20/h2-8,11-16H,9-10,17-19H2,1H3
InChIKeyPFKSDOIOZBFANU-UHFFFAOYSA-N
XLogP5.48
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.48
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-(naphthalen-1-yloxymethyl)-1-(4-phenoxybutyl)benzimidazole
CID 16999401
1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997784
2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole
CID 3472678
2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 16997380
2-[(2-methoxyphenoxy)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 16997505
2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997233
1-(4-naphthalen-2-yloxybutyl)-2-(phenoxymethyl)benzimidazole
CID 18879280
1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997731
2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
CID 16997248
1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(2-methoxyphenoxy)methyl]benzimidazole
CID 16997494
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole?
The IUPAC name of 2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole (CID 16997524) is 2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole.
What is the SMILES notation for 2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole?
The canonical SMILES for 2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole is COc1ccccc1OCc1nc2ccccc2n1CCCCOc1ccccc1.
What is the InChIKey of 2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole?
The InChIKey is PFKSDOIOZBFANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-28-23-15-7-8-16-24(23)30-19-25-26-21-13-5-6-14-22(21)27(25)17-9-10-18-29-20-11-3-2-4-12-20/h2-8,11-16H,9-10,17-19H2,1H3.
What are the key properties of 2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole?
2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole has a molecular weight of 402.49 g/mol, XLogP of 5.48, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole is sourced from PubChem (CID 16997524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).