2-(4-methylsulfonylphenyl)-1-(2-phenoxyethyl)imidazole

C18H18N2O3S — CID 56871314

IUPAC2-(4-methylsulfonylphenyl)-1-(2-phenoxyethyl)imidazole
SMILESCS(=O)(=O)c1ccc(-c2nccn2CCOc2ccccc2)cc1
InChIInChI=1S/C18H18N2O3S/c1-24(21,22)17-9-7-15(8-10-17)18-19-11-12-20(18)13-14-23-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3
InChIKeyKVCPNROWBADSLO-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.03
Rot. Bonds6

About 2-(4-methylsulfonylphenyl)-1-(2-phenoxyethyl)imidazole

2-(4-methylsulfonylphenyl)-1-(2-phenoxyethyl)imidazole (PubChem CID 56871314) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-1-(2-phenoxyethyl)imidazole.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-1-(2-phenoxyethyl)imidazole
PubChem CID56871314
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-(4-methylsulfonylphenyl)-1-(2-phenoxyethyl)imidazole
SMILESCS(=O)(=O)c1ccc(-c2nccn2CCOc2ccccc2)cc1
InChIInChI=1S/C18H18N2O3S/c1-24(21,22)17-9-7-15(8-10-17)18-19-11-12-20(18)13-14-23-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3
InChIKeyKVCPNROWBADSLO-UHFFFAOYSA-N
XLogP3.03
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-1-(2-phenoxyethyl)imidazole?
The IUPAC name of 2-(4-methylsulfonylphenyl)-1-(2-phenoxyethyl)imidazole (CID 56871314) is 2-(4-methylsulfonylphenyl)-1-(2-phenoxyethyl)imidazole.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-1-(2-phenoxyethyl)imidazole?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-1-(2-phenoxyethyl)imidazole is CS(=O)(=O)c1ccc(-c2nccn2CCOc2ccccc2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-1-(2-phenoxyethyl)imidazole?
The InChIKey is KVCPNROWBADSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-24(21,22)17-9-7-15(8-10-17)18-19-11-12-20(18)13-14-23-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)-1-(2-phenoxyethyl)imidazole?
2-(4-methylsulfonylphenyl)-1-(2-phenoxyethyl)imidazole has a molecular weight of 342.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-1-(2-phenoxyethyl)imidazole is sourced from PubChem (CID 56871314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).