5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonylimidazole

C19H26FN3O2S — CID 25285275

IUPAC5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonylimidazole
SMILESCC(C)Cn1c(CN2CCC[C@@H]2c2ccc(F)cc2)cnc1S(C)(=O)=O
InChIInChI=1S/C19H26FN3O2S/c1-14(2)12-23-17(11-21-19(23)26(3,24)25)13-22-10-4-5-18(22)15-6-8-16(20)9-7-15/h6-9,11,14,18H,4-5,10,12-13H2,1-3H3/t18-/m1/s1
InChIKeyDGJFGLWPENAUAG-GOSISDBHSA-N
MW379.50 g/mol
LogP3.42
Rot. Bonds6

About 5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonylimidazole

5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonylimidazole (PubChem CID 25285275) has the molecular formula C19H26FN3O2S and a molecular weight of 379.50 g/mol. Its IUPAC name is 5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonylimidazole.

Molecular Properties

Compound Name5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonylimidazole
PubChem CID25285275
Molecular FormulaC19H26FN3O2S
Molecular Weight379.50 g/mol
Exact Mass379.17
IUPAC Name5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonylimidazole
SMILESCC(C)Cn1c(CN2CCC[C@@H]2c2ccc(F)cc2)cnc1S(C)(=O)=O
InChIInChI=1S/C19H26FN3O2S/c1-14(2)12-23-17(11-21-19(23)26(3,24)25)13-22-10-4-5-18(22)15-6-8-16(20)9-7-15/h6-9,11,14,18H,4-5,10,12-13H2,1-3H3/t18-/m1/s1
InChIKeyDGJFGLWPENAUAG-GOSISDBHSA-N
XLogP3.42
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-1-(2-methylpropyl)azepane
CID 90816221
2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 99947605
2-[1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 45213715
[1-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol
CID 45250713
4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N-methylbenzenesulfonamide
CID 56890613
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
1-benzyl-5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazole
CID 124852106
3-ethyl-5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1H-1,2,4-triazole
CID 124756604
4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 94616382
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 47019475
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 47019472
5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
CID 99939665

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonylimidazole?
The IUPAC name of 5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonylimidazole (CID 25285275) is 5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonylimidazole.
What is the SMILES notation for 5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonylimidazole?
The canonical SMILES for 5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonylimidazole is CC(C)Cn1c(CN2CCC[C@@H]2c2ccc(F)cc2)cnc1S(C)(=O)=O.
What is the InChIKey of 5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonylimidazole?
The InChIKey is DGJFGLWPENAUAG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26FN3O2S/c1-14(2)12-23-17(11-21-19(23)26(3,24)25)13-22-10-4-5-18(22)15-6-8-16(20)9-7-15/h6-9,11,14,18H,4-5,10,12-13H2,1-3H3/t18-/m1/s1.
What are the key properties of 5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonylimidazole?
5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonylimidazole has a molecular weight of 379.50 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonylimidazole is sourced from PubChem (CID 25285275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).