2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole

C20H24N2O3S — CID 112775589

IUPAC2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole
SMILESCCOc1ccc(OCCSc2nc3ccccc3n2CCOC)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-24-16-8-10-17(11-9-16)25-14-15-26-20-21-18-6-4-5-7-19(18)22(20)12-13-23-2/h4-11H,3,12-15H2,1-2H3
InChIKeyBBSBDYVVTVITKJ-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.25
Rot. Bonds10

About 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole

2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole (PubChem CID 112775589) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole
PubChem CID112775589
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole
SMILESCCOc1ccc(OCCSc2nc3ccccc3n2CCOC)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-24-16-8-10-17(11-9-16)25-14-15-26-20-21-18-6-4-5-7-19(18)22(20)12-13-23-2/h4-11H,3,12-15H2,1-2H3
InChIKeyBBSBDYVVTVITKJ-UHFFFAOYSA-N
XLogP4.25
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 2772456
1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole
CID 22509756
N-(4-ethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505882
3-[2-[2-(4-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid
CID 2772727
3-(2-methoxyethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one
CID 2082259
N,N-diethyl-2-[2-(2-methoxyethylsulfanyl)benzimidazol-1-yl]ethanamine;dihydrochloride
CID 3027330
2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]ethanol
CID 575539
2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole
CID 21369635
2-[2-(benzenesulfonyl)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole
CID 37133115
3-[2-[2-(4-chlorophenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid
CID 2856865
2-[2-[2-(4-ethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetate
CID 7000295
1-ethyl-2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazole
CID 17027953

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole?
The IUPAC name of 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole (CID 112775589) is 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole.
What is the SMILES notation for 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole?
The canonical SMILES for 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole is CCOc1ccc(OCCSc2nc3ccccc3n2CCOC)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole?
The InChIKey is BBSBDYVVTVITKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-24-16-8-10-17(11-9-16)25-14-15-26-20-21-18-6-4-5-7-19(18)22(20)12-13-23-2/h4-11H,3,12-15H2,1-2H3.
What are the key properties of 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole?
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole has a molecular weight of 372.49 g/mol, XLogP of 4.25, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole is sourced from PubChem (CID 112775589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).