4-hydroxy-1-methyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

C16H15F3N4O2 — CID 118043425

IUPAC4-hydroxy-1-methyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCc1ccc(-c2cnc(N3C(=O)N(C)CC3O)cc2C(F)(F)F)cn1
InChIInChI=1S/C16H15F3N4O2/c1-9-3-4-10(6-20-9)11-7-21-13(5-12(11)16(17,18)19)23-14(24)8-22(2)15(23)25/h3-7,14,24H,8H2,1-2H3
InChIKeyKUFQEYGJSYGHRD-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.66
Rot. Bonds2

About 4-hydroxy-1-methyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

4-hydroxy-1-methyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 118043425) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID118043425
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC Name4-hydroxy-1-methyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCc1ccc(-c2cnc(N3C(=O)N(C)CC3O)cc2C(F)(F)F)cn1
InChIInChI=1S/C16H15F3N4O2/c1-9-3-4-10(6-20-9)11-7-21-13(5-12(11)16(17,18)19)23-14(24)8-22(2)15(23)25/h3-7,14,24H,8H2,1-2H3
InChIKeyKUFQEYGJSYGHRD-UHFFFAOYSA-N
XLogP2.66
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-acetylpiperazin-1-yl)-3-(4-fluorophenyl)-1-methyl-4-(pyridin-4-yl)-1H-pyrrole-2-carbonitrile
CID 10476287
2-(4-(6-(Pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-2-yl)piperazin-1-yl)ethanol
CID 46216813
1-[6-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one
CID 59507806
(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 86268389
4-amino-1-[[2-(2-methoxyethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56669245
4-amino-1-[[6-(2-hydroxyethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56675929
4-amino-1-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56682697
(4S)-4-methyl-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 145956839
(4S)-4-ethyl-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 145961862
(4R)-4-(fluoromethyl)-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 145963523
1-[6-[6-Amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]imidazolidin-2-one
CID 168293680
1-(4-Cyclopropylpyridin-3-yl)-3-(4-(trifluoromethyl) pyridin-2-yl)imidazolidin-2-one
CID 66576488

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (CID 118043425) is 4-hydroxy-1-methyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is Cc1ccc(-c2cnc(N3C(=O)N(C)CC3O)cc2C(F)(F)F)cn1.
What is the InChIKey of 4-hydroxy-1-methyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is KUFQEYGJSYGHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c1-9-3-4-10(6-20-9)11-7-21-13(5-12(11)16(17,18)19)23-14(24)8-22(2)15(23)25/h3-7,14,24H,8H2,1-2H3.
What are the key properties of 4-hydroxy-1-methyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
4-hydroxy-1-methyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 352.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 118043425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).