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

C24H23F2N7O2 — CID 15454648

IUPAC1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-(4-pyrazol-1-ylphenyl)imidazolidin-2-one
SMILESC[C@@H](N1CCN(c2ccc(-n3cccn3)cc2)C1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C24H23F2N7O2/c1-17(24(35,14-30-16-27-15-29-30)21-8-3-18(25)13-22(21)26)31-11-12-32(23(31)34)19-4-6-20(7-5-19)33-10-2-9-28-33/h2-10,13,15-17,35H,11-12,14H2,1H3/t17-,24-/m1/s1
InChIKeyNCECZODUGHLMAP-MZNJEOGPSA-N
MW479.49 g/mol
LogP2.96
Rot. Bonds7

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

1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-(4-pyrazol-1-ylphenyl)imidazolidin-2-one (PubChem CID 15454648) has the molecular formula C24H23F2N7O2 and a molecular weight of 479.49 g/mol. Its IUPAC name is 1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-(4-pyrazol-1-ylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-(4-pyrazol-1-ylphenyl)imidazolidin-2-one
PubChem CID15454648
Molecular FormulaC24H23F2N7O2
Molecular Weight479.49 g/mol
Exact Mass479.19
IUPAC Name1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-(4-pyrazol-1-ylphenyl)imidazolidin-2-one
SMILESC[C@@H](N1CCN(c2ccc(-n3cccn3)cc2)C1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C24H23F2N7O2/c1-17(24(35,14-30-16-27-15-29-30)21-8-3-18(25)13-22(21)26)31-11-12-32(23(31)34)19-4-6-20(7-5-19)33-10-2-9-28-33/h2-10,13,15-17,35H,11-12,14H2,1H3/t17-,24-/m1/s1
InChIKeyNCECZODUGHLMAP-MZNJEOGPSA-N
XLogP2.96
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-(4-pyrazol-1-ylphenyl)imidazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-(4-pyrazol-1-ylphenyl)imidazolidin-2-one?
The IUPAC name of 1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-(4-pyrazol-1-ylphenyl)imidazolidin-2-one (CID 15454648) is 1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-(4-pyrazol-1-ylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-(4-pyrazol-1-ylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-(4-pyrazol-1-ylphenyl)imidazolidin-2-one is C[C@@H](N1CCN(c2ccc(-n3cccn3)cc2)C1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of 1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-(4-pyrazol-1-ylphenyl)imidazolidin-2-one?
The InChIKey is NCECZODUGHLMAP-MZNJEOGPSA-N. The full InChI is InChI=1S/C24H23F2N7O2/c1-17(24(35,14-30-16-27-15-29-30)21-8-3-18(25)13-22(21)26)31-11-12-32(23(31)34)19-4-6-20(7-5-19)33-10-2-9-28-33/h2-10,13,15-17,35H,11-12,14H2,1H3/t17-,24-/m1/s1.
What are the key properties of 1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-(4-pyrazol-1-ylphenyl)imidazolidin-2-one?
1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-(4-pyrazol-1-ylphenyl)imidazolidin-2-one has a molecular weight of 479.49 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-(4-pyrazol-1-ylphenyl)imidazolidin-2-one is sourced from PubChem (CID 15454648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).