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

C17H17F3N4O2 — CID 118019246

IUPAC4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCc1ccc(-c2cnc(N3C(=O)N(C)C(C)C3O)cc2C(F)(F)F)cn1
InChIInChI=1S/C17H17F3N4O2/c1-9-4-5-11(7-21-9)12-8-22-14(6-13(12)17(18,19)20)24-15(25)10(2)23(3)16(24)26/h4-8,10,15,25H,1-3H3
InChIKeyIPQGIDJQQZHSLC-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.05
Rot. Bonds2

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

4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 118019246) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID118019246
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCc1ccc(-c2cnc(N3C(=O)N(C)C(C)C3O)cc2C(F)(F)F)cn1
InChIInChI=1S/C17H17F3N4O2/c1-9-4-5-11(7-21-9)12-8-22-14(6-13(12)17(18,19)20)24-15(25)10(2)23(3)16(24)26/h4-8,10,15,25H,1-3H3
InChIKeyIPQGIDJQQZHSLC-UHFFFAOYSA-N
XLogP3.05
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (CID 118019246) is 4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is Cc1ccc(-c2cnc(N3C(=O)N(C)C(C)C3O)cc2C(F)(F)F)cn1.
What is the InChIKey of 4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is IPQGIDJQQZHSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-9-4-5-11(7-21-9)12-8-22-14(6-13(12)17(18,19)20)24-15(25)10(2)23(3)16(24)26/h4-8,10,15,25H,1-3H3.
What are the key properties of 4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 366.34 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 118019246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).