2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole

C25H25ClN2O — CID 17002176

IUPAC2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
SMILESCCc1ccc(OCCCCn2c(-c3ccccc3Cl)nc3ccccc32)cc1
InChIInChI=1S/C25H25ClN2O/c1-2-19-13-15-20(16-14-19)29-18-8-7-17-28-24-12-6-5-11-23(24)27-25(28)21-9-3-4-10-22(21)26/h3-6,9-16H,2,7-8,17-18H2,1H3
InChIKeyDPTJQBJBAUJMKP-UHFFFAOYSA-N
MW404.94 g/mol
LogP6.78
Rot. Bonds8

About 2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole

2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole (PubChem CID 17002176) has the molecular formula C25H25ClN2O and a molecular weight of 404.94 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
PubChem CID17002176
Molecular FormulaC25H25ClN2O
Molecular Weight404.94 g/mol
Exact Mass404.17
IUPAC Name2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
SMILESCCc1ccc(OCCCCn2c(-c3ccccc3Cl)nc3ccccc32)cc1
InChIInChI=1S/C25H25ClN2O/c1-2-19-13-15-20(16-14-19)29-18-8-7-17-28-24-12-6-5-11-23(24)27-25(28)21-9-3-4-10-22(21)26/h3-6,9-16H,2,7-8,17-18H2,1H3
InChIKeyDPTJQBJBAUJMKP-UHFFFAOYSA-N
XLogP6.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.94
LogP ≤ 56.78
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

2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
CID 17002175
2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 16987792
2-(2-chlorophenyl)-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole
CID 17002171
2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole
CID 5136193
1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000838
2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773
1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole
CID 17000704
2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 18878785
2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
CID 17002142
2-(2-chlorophenyl)-1-propylbenzimidazole
CID 4637054
1-[4-(4-butan-2-ylphenoxy)butyl]-2-(2,4-dichlorophenyl)benzimidazole
CID 16987795
2-[(2-chlorophenyl)methyl]-1-[2-(4-ethylphenoxy)ethyl]benzimidazole
CID 16995718

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole (CID 17002176) is 2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole is CCc1ccc(OCCCCn2c(-c3ccccc3Cl)nc3ccccc32)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole?
The InChIKey is DPTJQBJBAUJMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O/c1-2-19-13-15-20(16-14-19)29-18-8-7-17-28-24-12-6-5-11-23(24)27-25(28)21-9-3-4-10-22(21)26/h3-6,9-16H,2,7-8,17-18H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole?
2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole has a molecular weight of 404.94 g/mol, XLogP of 6.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole is sourced from PubChem (CID 17002176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).