2-ethylsulfonyl-1-(2-phenylethyl)-5-(pyrrolidin-1-ylmethyl)imidazole

C18H25N3O2S — CID 42520333

IUPAC2-ethylsulfonyl-1-(2-phenylethyl)-5-(pyrrolidin-1-ylmethyl)imidazole
SMILESCCS(=O)(=O)c1ncc(CN2CCCC2)n1CCc1ccccc1
InChIInChI=1S/C18H25N3O2S/c1-2-24(22,23)18-19-14-17(15-20-11-6-7-12-20)21(18)13-10-16-8-4-3-5-9-16/h3-5,8-9,14H,2,6-7,10-13,15H2,1H3
InChIKeyXUUUMHLHPVBUSJ-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.52
Rot. Bonds7

About 2-ethylsulfonyl-1-(2-phenylethyl)-5-(pyrrolidin-1-ylmethyl)imidazole

2-ethylsulfonyl-1-(2-phenylethyl)-5-(pyrrolidin-1-ylmethyl)imidazole (PubChem CID 42520333) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-ethylsulfonyl-1-(2-phenylethyl)-5-(pyrrolidin-1-ylmethyl)imidazole.

Molecular Properties

Compound Name2-ethylsulfonyl-1-(2-phenylethyl)-5-(pyrrolidin-1-ylmethyl)imidazole
PubChem CID42520333
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name2-ethylsulfonyl-1-(2-phenylethyl)-5-(pyrrolidin-1-ylmethyl)imidazole
SMILESCCS(=O)(=O)c1ncc(CN2CCCC2)n1CCc1ccccc1
InChIInChI=1S/C18H25N3O2S/c1-2-24(22,23)18-19-14-17(15-20-11-6-7-12-20)21(18)13-10-16-8-4-3-5-9-16/h3-5,8-9,14H,2,6-7,10-13,15H2,1H3
InChIKeyXUUUMHLHPVBUSJ-UHFFFAOYSA-N
XLogP2.52
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-1-(2-phenylethyl)-5-(pyrrolidin-1-ylmethyl)imidazole?
The IUPAC name of 2-ethylsulfonyl-1-(2-phenylethyl)-5-(pyrrolidin-1-ylmethyl)imidazole (CID 42520333) is 2-ethylsulfonyl-1-(2-phenylethyl)-5-(pyrrolidin-1-ylmethyl)imidazole.
What is the SMILES notation for 2-ethylsulfonyl-1-(2-phenylethyl)-5-(pyrrolidin-1-ylmethyl)imidazole?
The canonical SMILES for 2-ethylsulfonyl-1-(2-phenylethyl)-5-(pyrrolidin-1-ylmethyl)imidazole is CCS(=O)(=O)c1ncc(CN2CCCC2)n1CCc1ccccc1.
What is the InChIKey of 2-ethylsulfonyl-1-(2-phenylethyl)-5-(pyrrolidin-1-ylmethyl)imidazole?
The InChIKey is XUUUMHLHPVBUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-2-24(22,23)18-19-14-17(15-20-11-6-7-12-20)21(18)13-10-16-8-4-3-5-9-16/h3-5,8-9,14H,2,6-7,10-13,15H2,1H3.
What are the key properties of 2-ethylsulfonyl-1-(2-phenylethyl)-5-(pyrrolidin-1-ylmethyl)imidazole?
2-ethylsulfonyl-1-(2-phenylethyl)-5-(pyrrolidin-1-ylmethyl)imidazole has a molecular weight of 347.48 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-1-(2-phenylethyl)-5-(pyrrolidin-1-ylmethyl)imidazole is sourced from PubChem (CID 42520333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).