2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole

C25H24Cl2N2O — CID 16987792

IUPAC2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
SMILESCCc1ccc(OCCCCn2c(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1
InChIInChI=1S/C25H24Cl2N2O/c1-2-18-9-12-20(13-10-18)30-16-6-5-15-29-24-8-4-3-7-23(24)28-25(29)21-14-11-19(26)17-22(21)27/h3-4,7-14,17H,2,5-6,15-16H2,1H3
InChIKeyKXYSSPYGNAWPBF-UHFFFAOYSA-N
MW439.39 g/mol
LogP7.43
Rot. Bonds8

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

2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole (PubChem CID 16987792) has the molecular formula C25H24Cl2N2O and a molecular weight of 439.39 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
PubChem CID16987792
Molecular FormulaC25H24Cl2N2O
Molecular Weight439.39 g/mol
Exact Mass438.13
IUPAC Name2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
SMILESCCc1ccc(OCCCCn2c(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1
InChIInChI=1S/C25H24Cl2N2O/c1-2-18-9-12-20(13-10-18)30-16-6-5-15-29-24-8-4-3-7-23(24)28-25(29)21-14-11-19(26)17-22(21)27/h3-4,7-14,17H,2,5-6,15-16H2,1H3
InChIKeyKXYSSPYGNAWPBF-UHFFFAOYSA-N
XLogP7.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.39
LogP ≤ 57.43
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-ethylphenoxy)butyl]benzimidazole
CID 17002176
1-[4-(4-butan-2-ylphenoxy)butyl]-2-(2,4-dichlorophenyl)benzimidazole
CID 16987795
2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
CID 17002175
1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000838
2-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
CID 16987747
2-(2,4-dichlorophenyl)-1-propylbenzimidazole
CID 16987669
2-(2,4-dichlorophenyl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole
CID 16987782
2-(2-chlorophenyl)-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole
CID 17002171
1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole
CID 17002067
2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 16987769
2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole
CID 18879129
2-(2,4-dichlorophenyl)-1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16987724

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole (CID 16987792) is 2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole is CCc1ccc(OCCCCn2c(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole?
The InChIKey is KXYSSPYGNAWPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O/c1-2-18-9-12-20(13-10-18)30-16-6-5-15-29-24-8-4-3-7-23(24)28-25(29)21-14-11-19(26)17-22(21)27/h3-4,7-14,17H,2,5-6,15-16H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole?
2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole has a molecular weight of 439.39 g/mol, XLogP of 7.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole is sourced from PubChem (CID 16987792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).