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

C18H20N2O2S — CID 17027953

IUPAC1-ethyl-2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazole
SMILESCCn1c(SCCOc2ccccc2OC)nc2ccccc21
InChIInChI=1S/C18H20N2O2S/c1-3-20-15-9-5-4-8-14(15)19-18(20)23-13-12-22-17-11-7-6-10-16(17)21-2/h4-11H,3,12-13H2,1-2H3
InChIKeyMHHJDAZRYWONQB-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.24
Rot. Bonds7

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

1-ethyl-2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazole (PubChem CID 17027953) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazole
PubChem CID17027953
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name1-ethyl-2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazole
SMILESCCn1c(SCCOc2ccccc2OC)nc2ccccc21
InChIInChI=1S/C18H20N2O2S/c1-3-20-15-9-5-4-8-14(15)19-18(20)23-13-12-22-17-11-7-6-10-16(17)21-2/h4-11H,3,12-13H2,1-2H3
InChIKeyMHHJDAZRYWONQB-UHFFFAOYSA-N
XLogP4.24
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1-prop-2-enylbenzimidazole
CID 17027954
1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole
CID 22509756
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole
CID 112775589
2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 2772456
2-[2-(2,3-dimethylphenoxy)ethylsulfanyl]-1-prop-2-ynylbenzimidazole
CID 17027937
2-[2-(2,3-dimethylphenoxy)ethylsulfanyl]-1-prop-2-enylbenzimidazole
CID 23613758
1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine
CID 2984464
3-[2-[2-(4-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid
CID 2772727
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
1-ethyl-2-hydroxysulfanylbenzimidazole
CID 143815190
2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]-1-prop-2-ynylbenzimidazole
CID 17027950
1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazole?
The IUPAC name of 1-ethyl-2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazole (CID 17027953) is 1-ethyl-2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazole.
What is the SMILES notation for 1-ethyl-2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazole?
The canonical SMILES for 1-ethyl-2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazole is CCn1c(SCCOc2ccccc2OC)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazole?
The InChIKey is MHHJDAZRYWONQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-20-15-9-5-4-8-14(15)19-18(20)23-13-12-22-17-11-7-6-10-16(17)21-2/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 1-ethyl-2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazole?
1-ethyl-2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazole has a molecular weight of 328.44 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazole is sourced from PubChem (CID 17027953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).