4-hydroxy-1-methyl-5-(trifluoromethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;1-methyl-1-(1,1,1-trifluoro-3,3-dimethoxypropan-2-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]urea

C24H24F12N6O5 — CID 159118085

IUPAC4-hydroxy-1-methyl-5-(trifluoromethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;1-methyl-1-(1,1,1-trifluoro-3,3-dimethoxypropan-2-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]urea
SMILESCN1C(=O)N(c2cc(C(F)(F)F)ccn2)C(O)C1C(F)(F)F.COC(OC)C(N(C)C(=O)Nc1cc(C(F)(F)F)ccn1)C(F)(F)F
InChIInChI=1S/C13H15F6N3O3.C11H9F6N3O2/c1-22(9(13(17,18)19)10(24-2)25-3)11(23)21-8-6-7(4-5-20-8)12(14,15)16;1-19-7(11(15,16)17)8(21)20(9(19)22)6-4-5(2-3-18-6)10(12,13)14/h4-6,9-10H,1-3H3,(H,20,21,23);2-4,7-8,21H,1H3
InChIKeyKFIKYSXSQHFKPJ-UHFFFAOYSA-N
MW704.47 g/mol
LogP5.34
Rot. Bonds6

About 4-hydroxy-1-methyl-5-(trifluoromethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;1-methyl-1-(1,1,1-trifluoro-3,3-dimethoxypropan-2-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]urea

4-hydroxy-1-methyl-5-(trifluoromethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;1-methyl-1-(1,1,1-trifluoro-3,3-dimethoxypropan-2-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]urea (PubChem CID 159118085) has the molecular formula C24H24F12N6O5 and a molecular weight of 704.47 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-5-(trifluoromethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;1-methyl-1-(1,1,1-trifluoro-3,3-dimethoxypropan-2-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name4-hydroxy-1-methyl-5-(trifluoromethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;1-methyl-1-(1,1,1-trifluoro-3,3-dimethoxypropan-2-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]urea
PubChem CID159118085
Molecular FormulaC24H24F12N6O5
Molecular Weight704.47 g/mol
Exact Mass704.16
IUPAC Name4-hydroxy-1-methyl-5-(trifluoromethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;1-methyl-1-(1,1,1-trifluoro-3,3-dimethoxypropan-2-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]urea
SMILESCN1C(=O)N(c2cc(C(F)(F)F)ccn2)C(O)C1C(F)(F)F.COC(OC)C(N(C)C(=O)Nc1cc(C(F)(F)F)ccn1)C(F)(F)F
InChIInChI=1S/C13H15F6N3O3.C11H9F6N3O2/c1-22(9(13(17,18)19)10(24-2)25-3)11(23)21-8-6-7(4-5-20-8)12(14,15)16;1-19-7(11(15,16)17)8(21)20(9(19)22)6-4-5(2-3-18-6)10(12,13)14/h4-6,9-10H,1-3H3,(H,20,21,23);2-4,7-8,21H,1H3
InChIKeyKFIKYSXSQHFKPJ-UHFFFAOYSA-N
XLogP5.34
TPSA120.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.47
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1-[5-(Trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487397
1-(1-Hydroxypropan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 51082759
1-(2-Methoxyethyl)-3-(1-(5-(trifluoromethyl)pyridin-2-yl)pyrrolidin-3-yl)urea
CID 76148974
4-Methyl-3-[4-[2-[3-(trifluoromethyl)anilino]pyridin-4-yl]pyridin-2-yl]-1,3-oxazolidin-2-one
CID 22027878
tert-butyl (1S,4S)-7-hydroxy-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 58305901
Tert-butyl 7-hydroxy-5-[4-(trifluoromethyl)pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 67229572
tert-butyl (1R,4S)-7-hydroxy-5-[4-(trifluoromethyl)pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 67229573
tert-butyl (1R,4R)-7-hydroxy-5-[4-(trifluoromethyl)pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 68316168
bis(2,2,2-trifluoroacetic acid);(3S,4S)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-3-ol
CID 87937378
bis(2,2,2-trifluoroacetic acid);(3S,4S)-4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-3-ol
CID 87937415
[(3S)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487605
[(3R)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487837

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-5-(trifluoromethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;1-methyl-1-(1,1,1-trifluoro-3,3-dimethoxypropan-2-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]urea?
The IUPAC name of 4-hydroxy-1-methyl-5-(trifluoromethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;1-methyl-1-(1,1,1-trifluoro-3,3-dimethoxypropan-2-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]urea (CID 159118085) is 4-hydroxy-1-methyl-5-(trifluoromethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;1-methyl-1-(1,1,1-trifluoro-3,3-dimethoxypropan-2-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]urea.
What is the SMILES notation for 4-hydroxy-1-methyl-5-(trifluoromethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;1-methyl-1-(1,1,1-trifluoro-3,3-dimethoxypropan-2-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]urea?
The canonical SMILES for 4-hydroxy-1-methyl-5-(trifluoromethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;1-methyl-1-(1,1,1-trifluoro-3,3-dimethoxypropan-2-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]urea is CN1C(=O)N(c2cc(C(F)(F)F)ccn2)C(O)C1C(F)(F)F.COC(OC)C(N(C)C(=O)Nc1cc(C(F)(F)F)ccn1)C(F)(F)F.
What is the InChIKey of 4-hydroxy-1-methyl-5-(trifluoromethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;1-methyl-1-(1,1,1-trifluoro-3,3-dimethoxypropan-2-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]urea?
The InChIKey is KFIKYSXSQHFKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F6N3O3.C11H9F6N3O2/c1-22(9(13(17,18)19)10(24-2)25-3)11(23)21-8-6-7(4-5-20-8)12(14,15)16;1-19-7(11(15,16)17)8(21)20(9(19)22)6-4-5(2-3-18-6)10(12,13)14/h4-6,9-10H,1-3H3,(H,20,21,23);2-4,7-8,21H,1H3.
What are the key properties of 4-hydroxy-1-methyl-5-(trifluoromethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;1-methyl-1-(1,1,1-trifluoro-3,3-dimethoxypropan-2-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]urea?
4-hydroxy-1-methyl-5-(trifluoromethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;1-methyl-1-(1,1,1-trifluoro-3,3-dimethoxypropan-2-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]urea has a molecular weight of 704.47 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-5-(trifluoromethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;1-methyl-1-(1,1,1-trifluoro-3,3-dimethoxypropan-2-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]urea is sourced from PubChem (CID 159118085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).