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

C25H26N2O2 — CID 17001768

IUPAC2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole
SMILESCOc1cccc(-c2nc3ccccc3n2CCCCOc2ccccc2C)c1
InChIInChI=1S/C25H26N2O2/c1-19-10-3-6-15-24(19)29-17-8-7-16-27-23-14-5-4-13-22(23)26-25(27)20-11-9-12-21(18-20)28-2/h3-6,9-15,18H,7-8,16-17H2,1-2H3
InChIKeyCTONQJGCDDDSCH-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.88
Rot. Bonds8

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

2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole (PubChem CID 17001768) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole
PubChem CID17001768
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole
SMILESCOc1cccc(-c2nc3ccccc3n2CCCCOc2ccccc2C)c1
InChIInChI=1S/C25H26N2O2/c1-19-10-3-6-15-24(19)29-17-8-7-16-27-23-14-5-4-13-22(23)26-25(27)20-11-9-12-21(18-20)28-2/h3-6,9-15,18H,7-8,16-17H2,1-2H3
InChIKeyCTONQJGCDDDSCH-UHFFFAOYSA-N
XLogP5.88
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.88
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-(3-methoxyphenyl)-1-pentylbenzimidazole
CID 17001673
1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001717
1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
CID 18878828
1-butyl-2-(3-methoxyphenyl)benzimidazole
CID 17001670
2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 17002021
2-(3-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 17001765
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-bromophenyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole
CID 17001900
1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997784
2-(3,4-dimethoxyphenyl)-1-[4-(2,4-dimethylphenoxy)butyl]benzimidazole
CID 17001460
1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole
CID 17000547

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole?
The IUPAC name of 2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole (CID 17001768) is 2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole?
The canonical SMILES for 2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole is COc1cccc(-c2nc3ccccc3n2CCCCOc2ccccc2C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole?
The InChIKey is CTONQJGCDDDSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-19-10-3-6-15-24(19)29-17-8-7-16-27-23-14-5-4-13-22(23)26-25(27)20-11-9-12-21(18-20)28-2/h3-6,9-15,18H,7-8,16-17H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole?
2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole has a molecular weight of 386.50 g/mol, XLogP of 5.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole is sourced from PubChem (CID 17001768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).