2-(2-phenoxyethylsulfonyl)-1H-benzimidazole

C15H14N2O3S — CID 576549

IUPAC2-(2-phenoxyethylsulfonyl)-1H-benzimidazole
SMILESO=S(=O)(CCOc1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H14N2O3S/c18-21(19,11-10-20-12-6-2-1-3-7-12)15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)
InChIKeyUFWQPVYIZPUELO-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.42
Rot. Bonds5

About 2-(2-phenoxyethylsulfonyl)-1H-benzimidazole

2-(2-phenoxyethylsulfonyl)-1H-benzimidazole (PubChem CID 576549) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-(2-phenoxyethylsulfonyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-phenoxyethylsulfonyl)-1H-benzimidazole
PubChem CID576549
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2-(2-phenoxyethylsulfonyl)-1H-benzimidazole
SMILESO=S(=O)(CCOc1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H14N2O3S/c18-21(19,11-10-20-12-6-2-1-3-7-12)15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)
InChIKeyUFWQPVYIZPUELO-UHFFFAOYSA-N
XLogP2.42
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Fabomotizole
CID 9862937
2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole
CID 1944110
2-[(4-methoxyphenoxy)methyl]-1H-benzimidazole
CID 394278
2-[(5-methoxy-1H-benzimidazol-2-yl)thio]acetamide
CID 606455
2-(benzylsulfanyl)-6-methoxy-1H-1,3-benzodiazole
CID 4384047
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(2-methoxyphenyl)-
CID 54998
2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]thio]1H-benzimidazole
CID 24949385
2-Ethylsulfanyl-1-(2-phenoxyethyl)benzimidazole
CID 740256
2-[(4-propoxybenzyl)thio]-1H-benzimidazole
CID 1653621
1-Ethyl-2-[2-(2-fluorophenoxy)ethylsulfanyl]benzimidazole
CID 2772637
2-[2-(4-Ethoxy-phenoxy)-ethylsulfanyl]-1H-benzoimidazole
CID 2772647
2-(4-Methoxy-benzylsulfanyl)-1H-benzoimidazole
CID 685040

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethylsulfonyl)-1H-benzimidazole?
The IUPAC name of 2-(2-phenoxyethylsulfonyl)-1H-benzimidazole (CID 576549) is 2-(2-phenoxyethylsulfonyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-phenoxyethylsulfonyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-phenoxyethylsulfonyl)-1H-benzimidazole is O=S(=O)(CCOc1ccccc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(2-phenoxyethylsulfonyl)-1H-benzimidazole?
The InChIKey is UFWQPVYIZPUELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-21(19,11-10-20-12-6-2-1-3-7-12)15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17).
What are the key properties of 2-(2-phenoxyethylsulfonyl)-1H-benzimidazole?
2-(2-phenoxyethylsulfonyl)-1H-benzimidazole has a molecular weight of 302.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethylsulfonyl)-1H-benzimidazole is sourced from PubChem (CID 576549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).