(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indol-5-yl)phenyl]imidazolidine-2,4-dione

C26H19FN4O3 — CID 91104758

IUPAC(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indol-5-yl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccc4[nH]ccc4c3)cc2)N1
InChIInChI=1S/C26H19FN4O3/c27-20-7-3-18-13-31(23(32)21(18)12-20)14-26(24(33)29-25(34)30-26)19-5-1-15(2-6-19)16-4-8-22-17(11-16)9-10-28-22/h1-13,28,32H,14H2,(H2,29,30,33,34)/t26-/m0/s1
InChIKeyIQLBAUNISYQPHY-SANMLTNESA-N
MW454.46 g/mol
LogP4.37
Rot. Bonds4

About (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indol-5-yl)phenyl]imidazolidine-2,4-dione

(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indol-5-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 91104758) has the molecular formula C26H19FN4O3 and a molecular weight of 454.46 g/mol. Its IUPAC name is (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indol-5-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indol-5-yl)phenyl]imidazolidine-2,4-dione
PubChem CID91104758
Molecular FormulaC26H19FN4O3
Molecular Weight454.46 g/mol
Exact Mass454.14
IUPAC Name(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indol-5-yl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccc4[nH]ccc4c3)cc2)N1
InChIInChI=1S/C26H19FN4O3/c27-20-7-3-18-13-31(23(32)21(18)12-20)14-26(24(33)29-25(34)30-26)19-5-1-15(2-6-19)16-4-8-22-17(11-16)9-10-28-22/h1-13,28,32H,14H2,(H2,29,30,33,34)/t26-/m0/s1
InChIKeyIQLBAUNISYQPHY-SANMLTNESA-N
XLogP4.37
TPSA99.15 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 54.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indol-5-yl)phenyl]imidazolidine-2,4-dione
CID 57531992
5-[(5-fluoro-3-hydroxy-3-methyl-1H-isoindol-2-yl)methyl]-5-quinolin-7-ylimidazolidine-2,4-dione
CID 71167416
(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione
CID 90697260
(5R)-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90698350
5-(2,4-Difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90707302
5-[(6-Fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 90728782
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione
CID 90730464
5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90750580
(5S)-5-[4-(2-chloro-4-pyridinyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90759376
(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione
CID 90769418
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 90772494
(5S)-5-(1-benzyltriazol-4-yl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90772630

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indol-5-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indol-5-yl)phenyl]imidazolidine-2,4-dione (CID 91104758) is (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indol-5-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indol-5-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indol-5-yl)phenyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccc4[nH]ccc4c3)cc2)N1.
What is the InChIKey of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indol-5-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is IQLBAUNISYQPHY-SANMLTNESA-N. The full InChI is InChI=1S/C26H19FN4O3/c27-20-7-3-18-13-31(23(32)21(18)12-20)14-26(24(33)29-25(34)30-26)19-5-1-15(2-6-19)16-4-8-22-17(11-16)9-10-28-22/h1-13,28,32H,14H2,(H2,29,30,33,34)/t26-/m0/s1.
What are the key properties of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indol-5-yl)phenyl]imidazolidine-2,4-dione?
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indol-5-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 454.46 g/mol, XLogP of 4.37, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indol-5-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 91104758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).