3-(5-tert-butyl-6-chloropyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one;(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylimidazolidin-2-one;3-(6-tert-butylpyrimidin-4-yl)-4-hydroxy-1-methylimidazolidin-2-one;(5S)-4-hydroxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

C57H76ClF6N17O12 — CID 159250540

IUPAC3-(5-tert-butyl-6-chloropyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one;(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylimidazolidin-2-one;3-(6-tert-butylpyrimidin-4-yl)-4-hydroxy-1-methylimidazolidin-2-one;(5S)-4-hydroxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCN1CC(O)N(c2cc(C(C)(C)C)c(Cl)nn2)C1=O.CN1CC(O)N(c2cc(C(C)(C)C)ncn2)C1=O.CN1CC(O)N(c2cc(C(F)(F)F)ccn2)C1=O.CON1C(=O)N(c2cc(C(F)(F)F)ccn2)C(O)[C@@H]1C.C[C@@H]1C(O)N(c2cc(C(C)(C)C)on2)C(=O)N1C
InChIInChI=1S/C12H17ClN4O2.C12H18N4O2.C12H19N3O3.C11H12F3N3O3.C10H10F3N3O2/c1-12(2,3)7-5-8(14-15-10(7)13)17-9(18)6-16(4)11(17)19;1-12(2,3)8-5-9(14-7-13-8)16-10(17)6-15(4)11(16)18;1-7-10(16)15(11(17)14(7)5)9-6-8(18-13-9)12(2,3)4;1-6-9(18)16(10(19)17(6)20-2)8-5-7(3-4-15-8)11(12,13)14;1-15-5-8(17)16(9(15)18)7-4-6(2-3-14-7)10(11,12)13/h5,9,18H,6H2,1-4H3;5,7,10,17H,6H2,1-4H3;6-7,10,16H,1-5H3;3-6,9,18H,1-2H3;2-4,8,17H,5H2,1H3/t;;7-,10?;6-,9?;/m..10./s1
InChIKeyKVFWUFPTVDBZDS-OWVLOZFSSA-N
MW1340.78 g/mol
LogP7.03
Rot. Bonds6

About 3-(5-tert-butyl-6-chloropyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one;(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylimidazolidin-2-one;3-(6-tert-butylpyrimidin-4-yl)-4-hydroxy-1-methylimidazolidin-2-one;(5S)-4-hydroxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

3-(5-tert-butyl-6-chloropyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one;(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylimidazolidin-2-one;3-(6-tert-butylpyrimidin-4-yl)-4-hydroxy-1-methylimidazolidin-2-one;(5S)-4-hydroxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 159250540) has the molecular formula C57H76ClF6N17O12 and a molecular weight of 1340.78 g/mol. Its IUPAC name is 3-(5-tert-butyl-6-chloropyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one;(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylimidazolidin-2-one;3-(6-tert-butylpyrimidin-4-yl)-4-hydroxy-1-methylimidazolidin-2-one;(5S)-4-hydroxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name3-(5-tert-butyl-6-chloropyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one;(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylimidazolidin-2-one;3-(6-tert-butylpyrimidin-4-yl)-4-hydroxy-1-methylimidazolidin-2-one;(5S)-4-hydroxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID159250540
Molecular FormulaC57H76ClF6N17O12
Molecular Weight1340.78 g/mol
Exact Mass1339.55
IUPAC Name3-(5-tert-butyl-6-chloropyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one;(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylimidazolidin-2-one;3-(6-tert-butylpyrimidin-4-yl)-4-hydroxy-1-methylimidazolidin-2-one;(5S)-4-hydroxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCN1CC(O)N(c2cc(C(C)(C)C)c(Cl)nn2)C1=O.CN1CC(O)N(c2cc(C(C)(C)C)ncn2)C1=O.CN1CC(O)N(c2cc(C(F)(F)F)ccn2)C1=O.CON1C(=O)N(c2cc(C(F)(F)F)ccn2)C(O)[C@@H]1C.C[C@@H]1C(O)N(c2cc(C(C)(C)C)on2)C(=O)N1C
InChIInChI=1S/C12H17ClN4O2.C12H18N4O2.C12H19N3O3.C11H12F3N3O3.C10H10F3N3O2/c1-12(2,3)7-5-8(14-15-10(7)13)17-9(18)6-16(4)11(17)19;1-12(2,3)8-5-9(14-7-13-8)16-10(17)6-15(4)11(16)18;1-7-10(16)15(11(17)14(7)5)9-6-8(18-13-9)12(2,3)4;1-6-9(18)16(10(19)17(6)20-2)8-5-7(3-4-15-8)11(12,13)14;1-15-5-8(17)16(9(15)18)7-4-6(2-3-14-7)10(11,12)13/h5,9,18H,6H2,1-4H3;5,7,10,17H,6H2,1-4H3;6-7,10,16H,1-5H3;3-6,9,18H,1-2H3;2-4,8,17H,5H2,1H3/t;;7-,10?;6-,9?;/m..10./s1
InChIKeyKVFWUFPTVDBZDS-OWVLOZFSSA-N
XLogP7.03
TPSA331.50 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds6
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001340.78
LogP ≤ 57.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 3-(5-tert-butyl-6-chloropyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one;(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylimidazolidin-2-one;3-(6-tert-butylpyrimidin-4-yl)-4-hydroxy-1-methylimidazolidin-2-one;(5S)-4-hydroxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one with MolForge

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Related Compounds

(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;(5S)-1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
CID 157839399
(3R,4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one;1-(6-tert-butylpyrimidin-4-yl)-2-hydroxy-4-methoxy-3-methyl-2H-pyrrol-5-one;3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one;3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one;4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
CID 159892042
(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;methane;(5S)-1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
CID 160828815
1-(5-Tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;1,4-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methanol;1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;1,4,5-trimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 161035746
1-(5-Tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;1,4-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;1-methoxy-4,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;1,4,5-trimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 161232121
3-(5-Tert-butyl-1,2-oxazol-3-yl)-4-hydroxy-1-methylimidazolidin-2-one;1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-hydroxy-3-methoxy-4-methylimidazolidin-2-one;4-hydroxy-1,5-dimethyl-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1-methyl-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 162114249
1-(5-Tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;1,4-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
CID 165020042

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-6-chloropyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one;(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylimidazolidin-2-one;3-(6-tert-butylpyrimidin-4-yl)-4-hydroxy-1-methylimidazolidin-2-one;(5S)-4-hydroxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 3-(5-tert-butyl-6-chloropyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one;(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylimidazolidin-2-one;3-(6-tert-butylpyrimidin-4-yl)-4-hydroxy-1-methylimidazolidin-2-one;(5S)-4-hydroxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (CID 159250540) is 3-(5-tert-butyl-6-chloropyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one;(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylimidazolidin-2-one;3-(6-tert-butylpyrimidin-4-yl)-4-hydroxy-1-methylimidazolidin-2-one;(5S)-4-hydroxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 3-(5-tert-butyl-6-chloropyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one;(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylimidazolidin-2-one;3-(6-tert-butylpyrimidin-4-yl)-4-hydroxy-1-methylimidazolidin-2-one;(5S)-4-hydroxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 3-(5-tert-butyl-6-chloropyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one;(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylimidazolidin-2-one;3-(6-tert-butylpyrimidin-4-yl)-4-hydroxy-1-methylimidazolidin-2-one;(5S)-4-hydroxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is CN1CC(O)N(c2cc(C(C)(C)C)c(Cl)nn2)C1=O.CN1CC(O)N(c2cc(C(C)(C)C)ncn2)C1=O.CN1CC(O)N(c2cc(C(F)(F)F)ccn2)C1=O.CON1C(=O)N(c2cc(C(F)(F)F)ccn2)C(O)[C@@H]1C.C[C@@H]1C(O)N(c2cc(C(C)(C)C)on2)C(=O)N1C.
What is the InChIKey of 3-(5-tert-butyl-6-chloropyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one;(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylimidazolidin-2-one;3-(6-tert-butylpyrimidin-4-yl)-4-hydroxy-1-methylimidazolidin-2-one;(5S)-4-hydroxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is KVFWUFPTVDBZDS-OWVLOZFSSA-N. The full InChI is InChI=1S/C12H17ClN4O2.C12H18N4O2.C12H19N3O3.C11H12F3N3O3.C10H10F3N3O2/c1-12(2,3)7-5-8(14-15-10(7)13)17-9(18)6-16(4)11(17)19;1-12(2,3)8-5-9(14-7-13-8)16-10(17)6-15(4)11(16)18;1-7-10(16)15(11(17)14(7)5)9-6-8(18-13-9)12(2,3)4;1-6-9(18)16(10(19)17(6)20-2)8-5-7(3-4-15-8)11(12,13)14;1-15-5-8(17)16(9(15)18)7-4-6(2-3-14-7)10(11,12)13/h5,9,18H,6H2,1-4H3;5,7,10,17H,6H2,1-4H3;6-7,10,16H,1-5H3;3-6,9,18H,1-2H3;2-4,8,17H,5H2,1H3/t;;7-,10?;6-,9?;/m..10./s1.
What are the key properties of 3-(5-tert-butyl-6-chloropyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one;(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylimidazolidin-2-one;3-(6-tert-butylpyrimidin-4-yl)-4-hydroxy-1-methylimidazolidin-2-one;(5S)-4-hydroxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
3-(5-tert-butyl-6-chloropyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one;(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylimidazolidin-2-one;3-(6-tert-butylpyrimidin-4-yl)-4-hydroxy-1-methylimidazolidin-2-one;(5S)-4-hydroxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 1340.78 g/mol, XLogP of 7.03, 6 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-6-chloropyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one;(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylimidazolidin-2-one;3-(6-tert-butylpyrimidin-4-yl)-4-hydroxy-1-methylimidazolidin-2-one;(5S)-4-hydroxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 159250540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).