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

C24H23ClN2O2 — CID 17002175

IUPAC2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
SMILESCOc1ccc(OCCCCn2c(-c3ccccc3Cl)nc3ccccc32)cc1
InChIInChI=1S/C24H23ClN2O2/c1-28-18-12-14-19(15-13-18)29-17-7-6-16-27-23-11-5-4-10-22(23)26-24(27)20-8-2-3-9-21(20)25/h2-5,8-15H,6-7,16-17H2,1H3
InChIKeyUJFYBQWSYNCUTE-UHFFFAOYSA-N
MW406.91 g/mol
LogP6.22
Rot. Bonds8

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

2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole (PubChem CID 17002175) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
PubChem CID17002175
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC Name2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
SMILESCOc1ccc(OCCCCn2c(-c3ccccc3Cl)nc3ccccc32)cc1
InChIInChI=1S/C24H23ClN2O2/c1-28-18-12-14-19(15-13-18)29-17-7-6-16-27-23-11-5-4-10-22(23)26-24(27)20-8-2-3-9-21(20)25/h2-5,8-15H,6-7,16-17H2,1H3
InChIKeyUJFYBQWSYNCUTE-UHFFFAOYSA-N
XLogP6.22
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 56.22
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-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 17002176
1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole
CID 17000704
2-(2-chlorophenyl)-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole
CID 17002171
2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole
CID 5136193
2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773
2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
CID 17002142
2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 18878785
2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 16987792
2-(2-chlorophenyl)-1-propylbenzimidazole
CID 4637054
2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
CID 17002166
2-(2,4-dimethylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16987578
1-[4-(4-butan-2-ylphenoxy)butyl]-2-(2,4-dichlorophenyl)benzimidazole
CID 16987795

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole (CID 17002175) is 2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole is COc1ccc(OCCCCn2c(-c3ccccc3Cl)nc3ccccc32)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole?
The InChIKey is UJFYBQWSYNCUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c1-28-18-12-14-19(15-13-18)29-17-7-6-16-27-23-11-5-4-10-22(23)26-24(27)20-8-2-3-9-21(20)25/h2-5,8-15H,6-7,16-17H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole?
2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole has a molecular weight of 406.91 g/mol, XLogP of 6.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole is sourced from PubChem (CID 17002175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).