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

C19H22F3N3O4S — CID 25255293

IUPAC4-[4-[2-[3-(trifluoromethyl)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(C(F)(F)F)c1
InChIInChI=1S/C19H22F3N3O4S/c1-18(2,30(28,29)14-5-3-4-13(10-14)19(20,21)22)12-6-8-25(9-7-12)16(26)15-11-23-17(27)24-15/h3-5,10-12H,6-9H2,1-2H3,(H2,23,24,27)
InChIKeyQKVFDUYDKVVPSV-UHFFFAOYSA-N
MW445.46 g/mol
LogP2.83
Rot. Bonds4

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

4-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 25255293) has the molecular formula C19H22F3N3O4S and a molecular weight of 445.46 g/mol. Its IUPAC name is 4-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
PubChem CID25255293
Molecular FormulaC19H22F3N3O4S
Molecular Weight445.46 g/mol
Exact Mass445.13
IUPAC Name4-[4-[2-[3-(trifluoromethyl)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(C(F)(F)F)c1
InChIInChI=1S/C19H22F3N3O4S/c1-18(2,30(28,29)14-5-3-4-13(10-14)19(20,21)22)12-6-8-25(9-7-12)16(26)15-11-23-17(27)24-15/h3-5,10-12H,6-9H2,1-2H3,(H2,23,24,27)
InChIKeyQKVFDUYDKVVPSV-UHFFFAOYSA-N
XLogP2.83
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 25255293) is 4-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[4-[2-[3-(trifluoromethyl)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(C(F)(F)F)c1.
What is the InChIKey of 4-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The InChIKey is QKVFDUYDKVVPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O4S/c1-18(2,30(28,29)14-5-3-4-13(10-14)19(20,21)22)12-6-8-25(9-7-12)16(26)15-11-23-17(27)24-15/h3-5,10-12H,6-9H2,1-2H3,(H2,23,24,27).
What are the key properties of 4-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
4-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 445.46 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 25255293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).