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

C25H26N2O2 — CID 17000704

IUPAC1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole
SMILESCOc1ccc(OCCCCn2c(-c3ccccc3C)nc3ccccc32)cc1
InChIInChI=1S/C25H26N2O2/c1-19-9-3-4-10-22(19)25-26-23-11-5-6-12-24(23)27(25)17-7-8-18-29-21-15-13-20(28-2)14-16-21/h3-6,9-16H,7-8,17-18H2,1-2H3
InChIKeyLZSWITMWWSTPRU-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.88
Rot. Bonds8

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

1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole (PubChem CID 17000704) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole.

Molecular Properties

Compound Name1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole
PubChem CID17000704
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole
SMILESCOc1ccc(OCCCCn2c(-c3ccccc3C)nc3ccccc32)cc1
InChIInChI=1S/C25H26N2O2/c1-19-9-3-4-10-22(19)25-26-23-11-5-6-12-24(23)27(25)17-7-8-18-29-21-15-13-20(28-2)14-16-21/h3-6,9-16H,7-8,17-18H2,1-2H3
InChIKeyLZSWITMWWSTPRU-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'}

Analyze 1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
CID 17002175
2-(2,4-dimethylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16987578
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627
1-dodecyl-2-(2-methylphenyl)benzimidazole
CID 17000610
2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 17002176
2-(2-chlorophenyl)-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole
CID 17002171
2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16987595
1-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001335
1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362
2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879176
2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001216
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole?
The IUPAC name of 1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole (CID 17000704) is 1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole.
What is the SMILES notation for 1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole?
The canonical SMILES for 1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole is COc1ccc(OCCCCn2c(-c3ccccc3C)nc3ccccc32)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole?
The InChIKey is LZSWITMWWSTPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-19-9-3-4-10-22(19)25-26-23-11-5-6-12-24(23)27(25)17-7-8-18-29-21-15-13-20(28-2)14-16-21/h3-6,9-16H,7-8,17-18H2,1-2H3.
What are the key properties of 1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole?
1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)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 1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole is sourced from PubChem (CID 17000704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).