1-(2-methylsulfonylethyl)-4-phenyl-5-spiro[2.2]pentan-2-ylimidazole

C17H20N2O2S — CID 154843244

IUPAC1-(2-methylsulfonylethyl)-4-phenyl-5-spiro[2.2]pentan-2-ylimidazole
SMILESCS(=O)(=O)CCn1cnc(-c2ccccc2)c1C1CC12CC2
InChIInChI=1S/C17H20N2O2S/c1-22(20,21)10-9-19-12-18-15(13-5-3-2-4-6-13)16(19)14-11-17(14)7-8-17/h2-6,12,14H,7-11H2,1H3
InChIKeyDFOMYENTAUPMGA-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.86
Rot. Bonds5

About 1-(2-methylsulfonylethyl)-4-phenyl-5-spiro[2.2]pentan-2-ylimidazole

1-(2-methylsulfonylethyl)-4-phenyl-5-spiro[2.2]pentan-2-ylimidazole (PubChem CID 154843244) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-4-phenyl-5-spiro[2.2]pentan-2-ylimidazole.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-4-phenyl-5-spiro[2.2]pentan-2-ylimidazole
PubChem CID154843244
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-(2-methylsulfonylethyl)-4-phenyl-5-spiro[2.2]pentan-2-ylimidazole
SMILESCS(=O)(=O)CCn1cnc(-c2ccccc2)c1C1CC12CC2
InChIInChI=1S/C17H20N2O2S/c1-22(20,21)10-9-19-12-18-15(13-5-3-2-4-6-13)16(19)14-11-17(14)7-8-17/h2-6,12,14H,7-11H2,1H3
InChIKeyDFOMYENTAUPMGA-UHFFFAOYSA-N
XLogP2.86
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-4-phenyl-5-spiro[2.2]pentan-2-ylimidazole?
The IUPAC name of 1-(2-methylsulfonylethyl)-4-phenyl-5-spiro[2.2]pentan-2-ylimidazole (CID 154843244) is 1-(2-methylsulfonylethyl)-4-phenyl-5-spiro[2.2]pentan-2-ylimidazole.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-4-phenyl-5-spiro[2.2]pentan-2-ylimidazole?
The canonical SMILES for 1-(2-methylsulfonylethyl)-4-phenyl-5-spiro[2.2]pentan-2-ylimidazole is CS(=O)(=O)CCn1cnc(-c2ccccc2)c1C1CC12CC2.
What is the InChIKey of 1-(2-methylsulfonylethyl)-4-phenyl-5-spiro[2.2]pentan-2-ylimidazole?
The InChIKey is DFOMYENTAUPMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-22(20,21)10-9-19-12-18-15(13-5-3-2-4-6-13)16(19)14-11-17(14)7-8-17/h2-6,12,14H,7-11H2,1H3.
What are the key properties of 1-(2-methylsulfonylethyl)-4-phenyl-5-spiro[2.2]pentan-2-ylimidazole?
1-(2-methylsulfonylethyl)-4-phenyl-5-spiro[2.2]pentan-2-ylimidazole has a molecular weight of 316.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-4-phenyl-5-spiro[2.2]pentan-2-ylimidazole is sourced from PubChem (CID 154843244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).