4-[4-[2-[3-(fluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one

C19H24FN3O4S — CID 143785685

IUPAC4-[4-[2-[3-(fluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESCC(C)(C1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1)S(=O)(=O)c1cccc(CF)c1
InChIInChI=1S/C19H24FN3O4S/c1-19(2,28(26,27)15-5-3-4-13(10-15)11-20)14-6-8-23(9-7-14)17(24)16-12-21-18(25)22-16/h3-5,10,12,14H,6-9,11H2,1-2H3,(H2,21,22,25)
InChIKeyIEACUVAOQPTZMB-UHFFFAOYSA-N
MW409.48 g/mol
LogP2.28
Rot. Bonds5

About 4-[4-[2-[3-(fluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one

4-[4-[2-[3-(fluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 143785685) has the molecular formula C19H24FN3O4S and a molecular weight of 409.48 g/mol. Its IUPAC name is 4-[4-[2-[3-(fluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[4-[2-[3-(fluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
PubChem CID143785685
Molecular FormulaC19H24FN3O4S
Molecular Weight409.48 g/mol
Exact Mass409.15
IUPAC Name4-[4-[2-[3-(fluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESCC(C)(C1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1)S(=O)(=O)c1cccc(CF)c1
InChIInChI=1S/C19H24FN3O4S/c1-19(2,28(26,27)15-5-3-4-13(10-15)11-20)14-6-8-23(9-7-14)17(24)16-12-21-18(25)22-16/h3-5,10,12,14H,6-9,11H2,1-2H3,(H2,21,22,25)
InChIKeyIEACUVAOQPTZMB-UHFFFAOYSA-N
XLogP2.28
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[3-(fluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[4-[2-[3-(fluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 143785685) is 4-[4-[2-[3-(fluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[4-[2-[3-(fluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[4-[2-[3-(fluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one is CC(C)(C1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1)S(=O)(=O)c1cccc(CF)c1.
What is the InChIKey of 4-[4-[2-[3-(fluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The InChIKey is IEACUVAOQPTZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O4S/c1-19(2,28(26,27)15-5-3-4-13(10-15)11-20)14-6-8-23(9-7-14)17(24)16-12-21-18(25)22-16/h3-5,10,12,14H,6-9,11H2,1-2H3,(H2,21,22,25).
What are the key properties of 4-[4-[2-[3-(fluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
4-[4-[2-[3-(fluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 409.48 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[3-(fluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 143785685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).