2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine

C18H26N4O3S — CID 45252050

IUPAC2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
SMILESCCS(=O)(=O)c1ncc(CN2CCCC2c2ccccn2)n1CCOC
InChIInChI=1S/C18H26N4O3S/c1-3-26(23,24)18-20-13-15(22(18)11-12-25-2)14-21-10-6-8-17(21)16-7-4-5-9-19-16/h4-5,7,9,13,17H,3,6,8,10-12,14H2,1-2H3
InChIKeyDPAAIFLXEGAEKI-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.06
Rot. Bonds8

About 2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine

2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine (PubChem CID 45252050) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
PubChem CID45252050
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
SMILESCCS(=O)(=O)c1ncc(CN2CCCC2c2ccccn2)n1CCOC
InChIInChI=1S/C18H26N4O3S/c1-3-26(23,24)18-20-13-15(22(18)11-12-25-2)14-21-10-6-8-17(21)16-7-4-5-9-19-16/h4-5,7,9,13,17H,3,6,8,10-12,14H2,1-2H3
InChIKeyDPAAIFLXEGAEKI-UHFFFAOYSA-N
XLogP2.06
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine (CID 45252050) is 2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine is CCS(=O)(=O)c1ncc(CN2CCCC2c2ccccn2)n1CCOC.
What is the InChIKey of 2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine?
The InChIKey is DPAAIFLXEGAEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-3-26(23,24)18-20-13-15(22(18)11-12-25-2)14-21-10-6-8-17(21)16-7-4-5-9-19-16/h4-5,7,9,13,17H,3,6,8,10-12,14H2,1-2H3.
What are the key properties of 2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine?
2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine has a molecular weight of 378.50 g/mol, XLogP of 2.06, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 45252050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).