1-(2,4-difluorophenyl)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]imidazolidin-2-one

C21H19F4N5O2 — CID 54139306

IUPAC1-(2,4-difluorophenyl)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]imidazolidin-2-one
SMILESC[C@@H](N1CCN(c2ccc(F)cc2F)C1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C21H19F4N5O2/c1-13(29-6-7-30(20(29)31)19-5-3-15(23)9-18(19)25)21(32,10-28-12-26-11-27-28)16-4-2-14(22)8-17(16)24/h2-5,8-9,11-13,32H,6-7,10H2,1H3/t13-,21-/m1/s1
InChIKeyNZYTYQSRWWPWFT-LRTDBIEQSA-N
MW449.41 g/mol
LogP3.05
Rot. Bonds6

About 1-(2,4-difluorophenyl)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]imidazolidin-2-one

1-(2,4-difluorophenyl)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]imidazolidin-2-one (PubChem CID 54139306) has the molecular formula C21H19F4N5O2 and a molecular weight of 449.41 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]imidazolidin-2-one
PubChem CID54139306
Molecular FormulaC21H19F4N5O2
Molecular Weight449.41 g/mol
Exact Mass449.15
IUPAC Name1-(2,4-difluorophenyl)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]imidazolidin-2-one
SMILESC[C@@H](N1CCN(c2ccc(F)cc2F)C1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C21H19F4N5O2/c1-13(29-6-7-30(20(29)31)19-5-3-15(23)9-18(19)25)21(32,10-28-12-26-11-27-28)16-4-2-14(22)8-17(16)24/h2-5,8-9,11-13,32H,6-7,10H2,1H3/t13-,21-/m1/s1
InChIKeyNZYTYQSRWWPWFT-LRTDBIEQSA-N
XLogP3.05
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(tetrazol-2-yl)phenyl]imidazolidin-2-one
CID 3002972
1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(trifluoromethoxy)phenyl]imidazolidin-2-one
CID 3003626
1-[(2S,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one
CID 10939776
1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazolidin-2-one
CID 3003628
(2R)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 58961300
2-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3H-isoindol-1-one
CID 67867683
(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanal
CID 10588875
2-bromo-5-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4H-pyrrolo[3,4-d][1,3]thiazol-6-one
CID 141459156
3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanoic acid
CID 15196322
(2R,3R)-2-(2,4-difluorophenyl)-3-(tetrazol-2-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 11723569
3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6-fluoro-1,2,3-benzotriazin-4-one
CID 152591140
(2R,3R)-2-(2,4-difluorophenyl)-3-(methylsulfonimidoyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 25046791

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]imidazolidin-2-one?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]imidazolidin-2-one (CID 54139306) is 1-(2,4-difluorophenyl)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]imidazolidin-2-one is C[C@@H](N1CCN(c2ccc(F)cc2F)C1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]imidazolidin-2-one?
The InChIKey is NZYTYQSRWWPWFT-LRTDBIEQSA-N. The full InChI is InChI=1S/C21H19F4N5O2/c1-13(29-6-7-30(20(29)31)19-5-3-15(23)9-18(19)25)21(32,10-28-12-26-11-27-28)16-4-2-14(22)8-17(16)24/h2-5,8-9,11-13,32H,6-7,10H2,1H3/t13-,21-/m1/s1.
What are the key properties of 1-(2,4-difluorophenyl)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]imidazolidin-2-one?
1-(2,4-difluorophenyl)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]imidazolidin-2-one has a molecular weight of 449.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]imidazolidin-2-one is sourced from PubChem (CID 54139306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).