2-[2-(benzenesulfonyl)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole

C18H20N2O3S2 — CID 37133115

IUPAC2-[2-(benzenesulfonyl)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole
SMILESCOCCn1c(SCCS(=O)(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C18H20N2O3S2/c1-23-12-11-20-17-10-6-5-9-16(17)19-18(20)24-13-14-25(21,22)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyHSULDVCBBDPZLN-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.25
Rot. Bonds8

About 2-[2-(benzenesulfonyl)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole

2-[2-(benzenesulfonyl)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole (PubChem CID 37133115) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole
PubChem CID37133115
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC Name2-[2-(benzenesulfonyl)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole
SMILESCOCCn1c(SCCS(=O)(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C18H20N2O3S2/c1-23-12-11-20-17-10-6-5-9-16(17)19-18(20)24-13-14-25(21,22)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyHSULDVCBBDPZLN-UHFFFAOYSA-N
XLogP3.25
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole?
The IUPAC name of 2-[2-(benzenesulfonyl)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole (CID 37133115) is 2-[2-(benzenesulfonyl)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole.
What is the SMILES notation for 2-[2-(benzenesulfonyl)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole?
The canonical SMILES for 2-[2-(benzenesulfonyl)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole is COCCn1c(SCCS(=O)(=O)c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-[2-(benzenesulfonyl)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole?
The InChIKey is HSULDVCBBDPZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c1-23-12-11-20-17-10-6-5-9-16(17)19-18(20)24-13-14-25(21,22)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3.
What are the key properties of 2-[2-(benzenesulfonyl)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole?
2-[2-(benzenesulfonyl)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole has a molecular weight of 376.50 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole is sourced from PubChem (CID 37133115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).