3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one

C10H9ClF3N3O2 — CID 118043352

IUPAC3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one
SMILESCN1CC(O)N(c2cc(C(F)(F)F)c(Cl)cn2)C1=O
InChIInChI=1S/C10H9ClF3N3O2/c1-16-4-8(18)17(9(16)19)7-2-5(10(12,13)14)6(11)3-15-7/h2-3,8,18H,4H2,1H3
InChIKeyMMYJCNNRBWQUBK-UHFFFAOYSA-N
MW295.65 g/mol
LogP1.94
Rot. Bonds1

About 3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one

3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one (PubChem CID 118043352) has the molecular formula C10H9ClF3N3O2 and a molecular weight of 295.65 g/mol. Its IUPAC name is 3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one
PubChem CID118043352
Molecular FormulaC10H9ClF3N3O2
Molecular Weight295.65 g/mol
Exact Mass295.03
IUPAC Name3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one
SMILESCN1CC(O)N(c2cc(C(F)(F)F)c(Cl)cn2)C1=O
InChIInChI=1S/C10H9ClF3N3O2/c1-16-4-8(18)17(9(16)19)7-2-5(10(12,13)14)6(11)3-15-7/h2-3,8,18H,4H2,1H3
InChIKeyMMYJCNNRBWQUBK-UHFFFAOYSA-N
XLogP1.94
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.65
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-methyl-2-methylidene-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-ol
CID 144833520
4-hydroxy-1-methyl-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one
CID 121324759
5-hydroxy-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 142474432
5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methylimidazolidin-2-one
CID 118019265
3-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]-4-hydroxy-1-methylimidazolidin-2-one
CID 121324760
1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one
CID 141443212
1-[4-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxylic acid
CID 67775314
2,5-dichloro-4-(trifluoromethyl)pyridine
CID 26986016
5-chloro-2-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine
CID 130192282
4-chloro-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-2,3-dihydropyrrol-2-ol
CID 141430587
bis[5-chloro-4-(trifluoromethyl)-2-pyridinyl]diazene
CID 132567260
(4R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 67130092

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one?
The IUPAC name of 3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one (CID 118043352) is 3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one.
What is the SMILES notation for 3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one?
The canonical SMILES for 3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one is CN1CC(O)N(c2cc(C(F)(F)F)c(Cl)cn2)C1=O.
What is the InChIKey of 3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one?
The InChIKey is MMYJCNNRBWQUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3O2/c1-16-4-8(18)17(9(16)19)7-2-5(10(12,13)14)6(11)3-15-7/h2-3,8,18H,4H2,1H3.
What are the key properties of 3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one?
3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one has a molecular weight of 295.65 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one is sourced from PubChem (CID 118043352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).