(5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione

C21H17FN6O4 — CID 90858847

IUPAC(5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2cn(C[C@@]3(c4cn(-c5ccc(F)cc5)nn4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C21H17FN6O4/c1-32-15-7-2-12-9-27(18(29)16(12)8-15)11-21(19(30)23-20(31)24-21)17-10-28(26-25-17)14-5-3-13(22)4-6-14/h2-10,29H,11H2,1H3,(H2,23,24,30,31)/t21-/m0/s1
InChIKeyGENUACJFTKCTDQ-NRFANRHFSA-N
MW436.40 g/mol
LogP1.81
Rot. Bonds5

About (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione

(5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 90858847) has the molecular formula C21H17FN6O4 and a molecular weight of 436.40 g/mol. Its IUPAC name is (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID90858847
Molecular FormulaC21H17FN6O4
Molecular Weight436.40 g/mol
Exact Mass436.13
IUPAC Name(5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2cn(C[C@@]3(c4cn(-c5ccc(F)cc5)nn4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C21H17FN6O4/c1-32-15-7-2-12-9-27(18(29)16(12)8-15)11-21(19(30)23-20(31)24-21)17-10-28(26-25-17)14-5-3-13(22)4-6-14/h2-10,29H,11H2,1H3,(H2,23,24,30,31)/t21-/m0/s1
InChIKeyGENUACJFTKCTDQ-NRFANRHFSA-N
XLogP1.81
TPSA123.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.40
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 90858847) is (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2cn(C[C@@]3(c4cn(-c5ccc(F)cc5)nn4)NC(=O)NC3=O)c(O)c2c1.
What is the InChIKey of (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is GENUACJFTKCTDQ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H17FN6O4/c1-32-15-7-2-12-9-27(18(29)16(12)8-15)11-21(19(30)23-20(31)24-21)17-10-28(26-25-17)14-5-3-13(22)4-6-14/h2-10,29H,11H2,1H3,(H2,23,24,30,31)/t21-/m0/s1.
What are the key properties of (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 436.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[1-(4-fluorophenyl)triazol-4-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90858847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).