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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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).