1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole

C25H26N2O3 — CID 17001362

IUPAC1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2CCCCOc2ccccc2OC)cc1
InChIInChI=1S/C25H26N2O3/c1-28-20-15-13-19(14-16-20)25-26-21-9-3-4-10-22(21)27(25)17-7-8-18-30-24-12-6-5-11-23(24)29-2/h3-6,9-16H,7-8,17-18H2,1-2H3
InChIKeyDNKFBFKTDQMZEU-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.58
Rot. Bonds9

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

1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole (PubChem CID 17001362) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole.

Molecular Properties

Compound Name1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
PubChem CID17001362
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2CCCCOc2ccccc2OC)cc1
InChIInChI=1S/C25H26N2O3/c1-28-20-15-13-19(14-16-20)25-26-21-9-3-4-10-22(21)27(25)17-7-8-18-30-24-12-6-5-11-23(24)29-2/h3-6,9-16H,7-8,17-18H2,1-2H3
InChIKeyDNKFBFKTDQMZEU-UHFFFAOYSA-N
XLogP5.58
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.58
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

1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531
2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001455
2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 17001338
2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
CID 17001033
2-(3-bromophenyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole
CID 17001900
1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
CID 18878828
1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001345
2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole
CID 17001768
2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001216
2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879176
1-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001335
2-(4-methoxyphenyl)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazole
CID 17001340

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole?
The IUPAC name of 1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole (CID 17001362) is 1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole.
What is the SMILES notation for 1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole?
The canonical SMILES for 1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole is COc1ccc(-c2nc3ccccc3n2CCCCOc2ccccc2OC)cc1.
What is the InChIKey of 1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole?
The InChIKey is DNKFBFKTDQMZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-28-20-15-13-19(14-16-20)25-26-21-9-3-4-10-22(21)27(25)17-7-8-18-30-24-12-6-5-11-23(24)29-2/h3-6,9-16H,7-8,17-18H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole?
1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole has a molecular weight of 402.49 g/mol, XLogP of 5.58, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole is sourced from PubChem (CID 17001362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).