(4S)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-4-propylimidazolidin-2-one

C12H13F4N3O — CID 140625303

IUPAC(4S)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-4-propylimidazolidin-2-one
SMILESCCC[C@H]1CN(c2ncc(C(F)(F)F)cc2F)C(=O)N1
InChIInChI=1S/C12H13F4N3O/c1-2-3-8-6-19(11(20)18-8)10-9(13)4-7(5-17-10)12(14,15)16/h4-5,8H,2-3,6H2,1H3,(H,18,20)/t8-/m0/s1
InChIKeyVJAHCFURLRKRTM-QMMMGPOBSA-N
MW291.25 g/mol
LogP2.94
Rot. Bonds3

About (4S)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-4-propylimidazolidin-2-one

(4S)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-4-propylimidazolidin-2-one (PubChem CID 140625303) has the molecular formula C12H13F4N3O and a molecular weight of 291.25 g/mol. Its IUPAC name is (4S)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-4-propylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-4-propylimidazolidin-2-one
PubChem CID140625303
Molecular FormulaC12H13F4N3O
Molecular Weight291.25 g/mol
Exact Mass291.10
IUPAC Name(4S)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-4-propylimidazolidin-2-one
SMILESCCC[C@H]1CN(c2ncc(C(F)(F)F)cc2F)C(=O)N1
InChIInChI=1S/C12H13F4N3O/c1-2-3-8-6-19(11(20)18-8)10-9(13)4-7(5-17-10)12(14,15)16/h4-5,8H,2-3,6H2,1H3,(H,18,20)/t8-/m0/s1
InChIKeyVJAHCFURLRKRTM-QMMMGPOBSA-N
XLogP2.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]acetic acid
CID 140625313
(3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine
CID 129105387
2-[(5R)-5-[(1S)-1-fluoropropyl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 90321801
1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one
CID 154464385
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 170716685
3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
CID 59514574
(4S)-4-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
CID 140625322
4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-one
CID 168907350
8-tert-butyl-3-(trifluoromethyl)-6,6a,7,9-tetrahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-10-one
CID 171587474
(3R)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-(sulfanylmethyl)piperazine-1-carboxylic acid
CID 175475658
2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-(4-ethyl-2-pyridinyl)acetamide
CID 90321848
[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate
CID 175142260

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-4-propylimidazolidin-2-one?
The IUPAC name of (4S)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-4-propylimidazolidin-2-one (CID 140625303) is (4S)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-4-propylimidazolidin-2-one.
What is the SMILES notation for (4S)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-4-propylimidazolidin-2-one?
The canonical SMILES for (4S)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-4-propylimidazolidin-2-one is CCC[C@H]1CN(c2ncc(C(F)(F)F)cc2F)C(=O)N1.
What is the InChIKey of (4S)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-4-propylimidazolidin-2-one?
The InChIKey is VJAHCFURLRKRTM-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13F4N3O/c1-2-3-8-6-19(11(20)18-8)10-9(13)4-7(5-17-10)12(14,15)16/h4-5,8H,2-3,6H2,1H3,(H,18,20)/t8-/m0/s1.
What are the key properties of (4S)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-4-propylimidazolidin-2-one?
(4S)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-4-propylimidazolidin-2-one has a molecular weight of 291.25 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-4-propylimidazolidin-2-one is sourced from PubChem (CID 140625303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).