3-[5-(2-fluoropropan-2-yl)-6-phenylpyridazin-3-yl]-4-hydroxy-1-methylimidazolidin-2-one

C17H19FN4O2 — CID 118072339

IUPAC3-[5-(2-fluoropropan-2-yl)-6-phenylpyridazin-3-yl]-4-hydroxy-1-methylimidazolidin-2-one
SMILESCN1CC(O)N(c2cc(C(C)(C)F)c(-c3ccccc3)nn2)C1=O
InChIInChI=1S/C17H19FN4O2/c1-17(2,18)12-9-13(22-14(23)10-21(3)16(22)24)19-20-15(12)11-7-5-4-6-8-11/h4-9,14,23H,10H2,1-3H3
InChIKeyRUAUJYODMOXURP-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.54
Rot. Bonds3

About 3-[5-(2-fluoropropan-2-yl)-6-phenylpyridazin-3-yl]-4-hydroxy-1-methylimidazolidin-2-one

3-[5-(2-fluoropropan-2-yl)-6-phenylpyridazin-3-yl]-4-hydroxy-1-methylimidazolidin-2-one (PubChem CID 118072339) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-[5-(2-fluoropropan-2-yl)-6-phenylpyridazin-3-yl]-4-hydroxy-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name3-[5-(2-fluoropropan-2-yl)-6-phenylpyridazin-3-yl]-4-hydroxy-1-methylimidazolidin-2-one
PubChem CID118072339
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name3-[5-(2-fluoropropan-2-yl)-6-phenylpyridazin-3-yl]-4-hydroxy-1-methylimidazolidin-2-one
SMILESCN1CC(O)N(c2cc(C(C)(C)F)c(-c3ccccc3)nn2)C1=O
InChIInChI=1S/C17H19FN4O2/c1-17(2,18)12-9-13(22-14(23)10-21(3)16(22)24)19-20-15(12)11-7-5-4-6-8-11/h4-9,14,23H,10H2,1-3H3
InChIKeyRUAUJYODMOXURP-UHFFFAOYSA-N
XLogP2.54
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,4-Trimethyl-1-(6-(m-tolylethynyl)pyridazin-3-yl)imidazolidin-2-one
CID 53494441
(3aR,6aS)-3-[6-[2-(3-fluorophenyl)ethynyl]pyridazin-3-yl]-1-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one
CID 58464062
Ethanol, 2-(ethyl(2-((4-methyl-6-phenyl-3-pyridazinyl)amino)ethyl)amino)-, dihydrochloride
CID 6410662
2,2,2-Trifluoro-1-{4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl}ethan-1-one
CID 25838620
2-[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]ethanol
CID 110271595
Ethanol, 2-[[2-[(4-methyl-6-phenyl-3-pyridazinyl)amino]ethyl]amino]-
CID 6410661
[(3S)-1-[6-phenyl-4-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol
CID 164635624
2-[Ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol
CID 6410663
4-(5-Phenyl-6-trifluoromethyl-pyridazin-3-yl)-piperazine-1-carboxylic acid tert-butyl ester
CID 59242666
3-[6-[2-(3-fluorophenyl)ethynyl]pyridazin-3-yl]-1-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one
CID 67436677
(3aR,6aS)-3-[6-(3-fluorophenyl)pyridazin-3-yl]-1-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one
CID 68221636
4-[5-(4-Fluorophenyl)-6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxylic acid
CID 69046617

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluoropropan-2-yl)-6-phenylpyridazin-3-yl]-4-hydroxy-1-methylimidazolidin-2-one?
The IUPAC name of 3-[5-(2-fluoropropan-2-yl)-6-phenylpyridazin-3-yl]-4-hydroxy-1-methylimidazolidin-2-one (CID 118072339) is 3-[5-(2-fluoropropan-2-yl)-6-phenylpyridazin-3-yl]-4-hydroxy-1-methylimidazolidin-2-one.
What is the SMILES notation for 3-[5-(2-fluoropropan-2-yl)-6-phenylpyridazin-3-yl]-4-hydroxy-1-methylimidazolidin-2-one?
The canonical SMILES for 3-[5-(2-fluoropropan-2-yl)-6-phenylpyridazin-3-yl]-4-hydroxy-1-methylimidazolidin-2-one is CN1CC(O)N(c2cc(C(C)(C)F)c(-c3ccccc3)nn2)C1=O.
What is the InChIKey of 3-[5-(2-fluoropropan-2-yl)-6-phenylpyridazin-3-yl]-4-hydroxy-1-methylimidazolidin-2-one?
The InChIKey is RUAUJYODMOXURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-17(2,18)12-9-13(22-14(23)10-21(3)16(22)24)19-20-15(12)11-7-5-4-6-8-11/h4-9,14,23H,10H2,1-3H3.
What are the key properties of 3-[5-(2-fluoropropan-2-yl)-6-phenylpyridazin-3-yl]-4-hydroxy-1-methylimidazolidin-2-one?
3-[5-(2-fluoropropan-2-yl)-6-phenylpyridazin-3-yl]-4-hydroxy-1-methylimidazolidin-2-one has a molecular weight of 330.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluoropropan-2-yl)-6-phenylpyridazin-3-yl]-4-hydroxy-1-methylimidazolidin-2-one is sourced from PubChem (CID 118072339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).