2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole

C24H23ClN2O3S — CID 2772456

IUPAC2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
SMILESCOc1ccc(OCCn2c(SCCOc3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C24H23ClN2O3S/c1-28-19-10-12-21(13-11-19)29-15-14-27-23-5-3-2-4-22(23)26-24(27)31-17-16-30-20-8-6-18(25)7-9-20/h2-13H,14-17H2,1H3
InChIKeyKMTJFAJBWWGQMU-UHFFFAOYSA-N
MW454.98 g/mol
LogP5.95
Rot. Bonds10

About 2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole

2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole (PubChem CID 2772456) has the molecular formula C24H23ClN2O3S and a molecular weight of 454.98 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
PubChem CID2772456
Molecular FormulaC24H23ClN2O3S
Molecular Weight454.98 g/mol
Exact Mass454.11
IUPAC Name2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
SMILESCOc1ccc(OCCn2c(SCCOc3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C24H23ClN2O3S/c1-28-19-10-12-21(13-11-19)29-15-14-27-23-5-3-2-4-22(23)26-24(27)31-17-16-30-20-8-6-18(25)7-9-20/h2-13H,14-17H2,1H3
InChIKeyKMTJFAJBWWGQMU-UHFFFAOYSA-N
XLogP5.95
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.98
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]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-(4-chlorophenoxy)ethylsulfanyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole
CID 21369635
3-[2-[2-(4-chlorophenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid
CID 2856865
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole
CID 112775589
3-[2-[2-(4-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid
CID 2772727
2-[2-[2-(4-chlorophenoxy)ethylsulfanyl]benzimidazol-1-yl]acetate
CID 7000527
1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811218
1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole
CID 22509756
2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]ethanol
CID 575539
1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole
CID 611619
1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine
CID 82359465
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 17000405

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole (CID 2772456) is 2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole is COc1ccc(OCCn2c(SCCOc3ccc(Cl)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole?
The InChIKey is KMTJFAJBWWGQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3S/c1-28-19-10-12-21(13-11-19)29-15-14-27-23-5-3-2-4-22(23)26-24(27)31-17-16-30-20-8-6-18(25)7-9-20/h2-13H,14-17H2,1H3.
What are the key properties of 2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole?
2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole has a molecular weight of 454.98 g/mol, XLogP of 5.95, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 2772456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).