1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole

C25H26N2O — CID 18878828

IUPAC1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
SMILESCc1ccc(-c2nc3ccccc3n2CCCCOc2ccccc2C)cc1
InChIInChI=1S/C25H26N2O/c1-19-13-15-21(16-14-19)25-26-22-10-4-5-11-23(22)27(25)17-7-8-18-28-24-12-6-3-9-20(24)2/h3-6,9-16H,7-8,17-18H2,1-2H3
InChIKeyKTSXNPITDZCXTD-UHFFFAOYSA-N
MW370.50 g/mol
LogP6.18
Rot. Bonds7

About 1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole

1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole (PubChem CID 18878828) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole.

Molecular Properties

Compound Name1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
PubChem CID18878828
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
SMILESCc1ccc(-c2nc3ccccc3n2CCCCOc2ccccc2C)cc1
InChIInChI=1S/C25H26N2O/c1-19-13-15-21(16-14-19)25-26-22-10-4-5-11-23(22)27(25)17-7-8-18-28-24-12-6-3-9-20(24)2/h3-6,9-16H,7-8,17-18H2,1-2H3
InChIKeyKTSXNPITDZCXTD-UHFFFAOYSA-N
XLogP6.18
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole
CID 17000547
2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole
CID 17001768
1-[4-(2,4-dimethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000824
1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362
2-(3,4-dimethoxyphenyl)-1-[4-(2,4-dimethylphenoxy)butyl]benzimidazole
CID 17001460
1-[4-(2,6-dimethylphenoxy)butyl]-2-(4-fluorophenyl)benzimidazole
CID 19243167
1-[4-(2-methylphenoxy)butyl]-2-thiophen-2-ylbenzimidazole
CID 4230135
1-[4-(2-chlorophenoxy)butyl]-2-(4-chlorophenyl)benzimidazole
CID 17001082
2-(4-fluorophenyl)-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
CID 19243170
2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 17002021
1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole
CID 17000799
1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole?
The IUPAC name of 1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole (CID 18878828) is 1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole.
What is the SMILES notation for 1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole?
The canonical SMILES for 1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole is Cc1ccc(-c2nc3ccccc3n2CCCCOc2ccccc2C)cc1.
What is the InChIKey of 1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole?
The InChIKey is KTSXNPITDZCXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-19-13-15-21(16-14-19)25-26-22-10-4-5-11-23(22)27(25)17-7-8-18-28-24-12-6-3-9-20(24)2/h3-6,9-16H,7-8,17-18H2,1-2H3.
What are the key properties of 1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole?
1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole has a molecular weight of 370.50 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole is sourced from PubChem (CID 18878828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).