1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole

C14H17N3O2S — CID 114717611

IUPAC1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole
SMILESCS(=O)(=O)c1ccc(-n2cncc2C2CCNC2)cc1
InChIInChI=1S/C14H17N3O2S/c1-20(18,19)13-4-2-12(3-5-13)17-10-16-9-14(17)11-6-7-15-8-11/h2-5,9-11,15H,6-8H2,1H3
InChIKeyUFQMZCYEIWUIHD-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.35
Rot. Bonds3

About 1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole

1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole (PubChem CID 114717611) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole
PubChem CID114717611
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole
SMILESCS(=O)(=O)c1ccc(-n2cncc2C2CCNC2)cc1
InChIInChI=1S/C14H17N3O2S/c1-20(18,19)13-4-2-12(3-5-13)17-10-16-9-14(17)11-6-7-15-8-11/h2-5,9-11,15H,6-8H2,1H3
InChIKeyUFQMZCYEIWUIHD-UHFFFAOYSA-N
XLogP1.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716402
3-[3-(4-bromophenyl)imidazol-4-yl]piperidine
CID 114703751
3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine
CID 114702820
4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine
CID 114702647
1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716120
3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine
CID 114223410
3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine
CID 114704028
5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole
CID 114720008
1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716891
3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine
CID 114702909
1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114718583
3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703474

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole (CID 114717611) is 1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole is CS(=O)(=O)c1ccc(-n2cncc2C2CCNC2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole?
The InChIKey is UFQMZCYEIWUIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-20(18,19)13-4-2-12(3-5-13)17-10-16-9-14(17)11-6-7-15-8-11/h2-5,9-11,15H,6-8H2,1H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole?
1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole has a molecular weight of 291.38 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 114717611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).