5-(2-fluorophenyl)-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole

C16H20FN3O2S — CID 56795192

IUPAC5-(2-fluorophenyl)-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole
SMILESCCCS(=O)(=O)N1CCCC1c1ncc(-c2ccccc2F)[nH]1
InChIInChI=1S/C16H20FN3O2S/c1-2-10-23(21,22)20-9-5-8-15(20)16-18-11-14(19-16)12-6-3-4-7-13(12)17/h3-4,6-7,11,15H,2,5,8-10H2,1H3,(H,18,19)
InChIKeySWSXBBGUDQSPRG-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.09
Rot. Bonds5

About 5-(2-fluorophenyl)-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole

5-(2-fluorophenyl)-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole (PubChem CID 56795192) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole
PubChem CID56795192
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC Name5-(2-fluorophenyl)-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole
SMILESCCCS(=O)(=O)N1CCCC1c1ncc(-c2ccccc2F)[nH]1
InChIInChI=1S/C16H20FN3O2S/c1-2-10-23(21,22)20-9-5-8-15(20)16-18-11-14(19-16)12-6-3-4-7-13(12)17/h3-4,6-7,11,15H,2,5,8-10H2,1H3,(H,18,19)
InChIKeySWSXBBGUDQSPRG-UHFFFAOYSA-N
XLogP3.09
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole
CID 110104284
propyl (2R)-2-[(2R)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propanoate
CID 95783725
1-[(2S)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-prop-2-enylsulfanylethanone
CID 95633410
2-[(2S)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-methylpyrimidine
CID 95635150
[2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 56794518
(2S)-2-(4-methylphenyl)-1-propylsulfonylpyrrolidine
CID 51855861
4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
CID 54928276
(2R)-1-[(2R)-2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one
CID 95772014
2-(3-chlorophenyl)-1-propylsulfonylpyrrolidine
CID 61384264
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 124976182
(2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine
CID 51694778
methyl N-[2-[(2S)-2-[5-[3-(2-fluorophenyl)-4-methylphenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 145269727

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole?
The IUPAC name of 5-(2-fluorophenyl)-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole (CID 56795192) is 5-(2-fluorophenyl)-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole.
What is the SMILES notation for 5-(2-fluorophenyl)-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole?
The canonical SMILES for 5-(2-fluorophenyl)-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole is CCCS(=O)(=O)N1CCCC1c1ncc(-c2ccccc2F)[nH]1.
What is the InChIKey of 5-(2-fluorophenyl)-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole?
The InChIKey is SWSXBBGUDQSPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-2-10-23(21,22)20-9-5-8-15(20)16-18-11-14(19-16)12-6-3-4-7-13(12)17/h3-4,6-7,11,15H,2,5,8-10H2,1H3,(H,18,19).
What are the key properties of 5-(2-fluorophenyl)-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole?
5-(2-fluorophenyl)-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole has a molecular weight of 337.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole is sourced from PubChem (CID 56795192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).