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

C19H22N2O2S — CID 22509756

IUPAC1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole
SMILESCOCCn1c(SCCOc2ccccc2C)nc2ccccc21
InChIInChI=1S/C19H22N2O2S/c1-15-7-3-6-10-18(15)23-13-14-24-19-20-16-8-4-5-9-17(16)21(19)11-12-22-2/h3-10H,11-14H2,1-2H3
InChIKeyZIDDHIYZQUDMKV-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.16
Rot. Bonds8

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

1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole (PubChem CID 22509756) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole
PubChem CID22509756
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole
SMILESCOCCn1c(SCCOc2ccccc2C)nc2ccccc21
InChIInChI=1S/C19H22N2O2S/c1-15-7-3-6-10-18(15)23-13-14-24-19-20-16-8-4-5-9-17(16)21(19)11-12-22-2/h3-10H,11-14H2,1-2H3
InChIKeyZIDDHIYZQUDMKV-UHFFFAOYSA-N
XLogP4.16
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole?
The IUPAC name of 1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole (CID 22509756) is 1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole?
The canonical SMILES for 1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole is COCCn1c(SCCOc2ccccc2C)nc2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole?
The InChIKey is ZIDDHIYZQUDMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-15-7-3-6-10-18(15)23-13-14-24-19-20-16-8-4-5-9-17(16)21(19)11-12-22-2/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole?
1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole has a molecular weight of 342.46 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole is sourced from PubChem (CID 22509756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).