1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole

C23H20Cl2N2O — CID 17002067

IUPAC1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole
SMILESClc1ccc(OCCCCn2c(-c3cccc(Cl)c3)nc3ccccc32)cc1
InChIInChI=1S/C23H20Cl2N2O/c24-18-10-12-20(13-11-18)28-15-4-3-14-27-22-9-2-1-8-21(22)26-23(27)17-6-5-7-19(25)16-17/h1-2,5-13,16H,3-4,14-15H2
InChIKeyFNFJZFVMUMDFNY-UHFFFAOYSA-N
MW411.33 g/mol
LogP6.87
Rot. Bonds7

About 1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole

1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole (PubChem CID 17002067) has the molecular formula C23H20Cl2N2O and a molecular weight of 411.33 g/mol. Its IUPAC name is 1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole.

Molecular Properties

Compound Name1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole
PubChem CID17002067
Molecular FormulaC23H20Cl2N2O
Molecular Weight411.33 g/mol
Exact Mass410.10
IUPAC Name1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole
SMILESClc1ccc(OCCCCn2c(-c3cccc(Cl)c3)nc3ccccc32)cc1
InChIInChI=1S/C23H20Cl2N2O/c24-18-10-12-20(13-11-18)28-15-4-3-14-27-22-9-2-1-8-21(22)26-23(27)17-6-5-7-19(25)16-17/h1-2,5-13,16H,3-4,14-15H2
InChIKeyFNFJZFVMUMDFNY-UHFFFAOYSA-N
XLogP6.87
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.33
LogP ≤ 56.87
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-[2-(4-chlorophenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002011
2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole
CID 18879129
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002010
2-(3-chlorophenyl)-1-octylbenzimidazole
CID 17001958
2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 17002021
3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol
CID 82149518
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000870
1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000838
2-(4-tert-butylphenyl)-1-[3-(4-chlorophenoxy)propyl]benzimidazole
CID 84571493
2-(3-chlorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 17002028
1-[4-(2-chlorophenoxy)butyl]-2-(4-chlorophenyl)benzimidazole
CID 17001082
2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 16987792

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole?
The IUPAC name of 1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole (CID 17002067) is 1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole.
What is the SMILES notation for 1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole?
The canonical SMILES for 1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole is Clc1ccc(OCCCCn2c(-c3cccc(Cl)c3)nc3ccccc32)cc1.
What is the InChIKey of 1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole?
The InChIKey is FNFJZFVMUMDFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O/c24-18-10-12-20(13-11-18)28-15-4-3-14-27-22-9-2-1-8-21(22)26-23(27)17-6-5-7-19(25)16-17/h1-2,5-13,16H,3-4,14-15H2.
What are the key properties of 1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole?
1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole has a molecular weight of 411.33 g/mol, XLogP of 6.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole is sourced from PubChem (CID 17002067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).