(5R)-5-[(1,5-dihydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione

C24H18FN3O4 — CID 90740839

IUPAC(5R)-5-[(1,5-dihydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3cc(O)ccc3c2O)(c2ccc(-c3ccc(F)cc3)cc2)N1
InChIInChI=1S/C24H18FN3O4/c25-18-7-3-15(4-8-18)14-1-5-17(6-2-14)24(22(31)26-23(32)27-24)13-28-12-16-11-19(29)9-10-20(16)21(28)30/h1-12,29-30H,13H2,(H2,26,27,31,32)/t24-/m0/s1
InChIKeyQAXVCNHIXGKXFV-DEOSSOPVSA-N
MW431.42 g/mol
LogP3.59
Rot. Bonds4

About (5R)-5-[(1,5-dihydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione

(5R)-5-[(1,5-dihydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione (PubChem CID 90740839) has the molecular formula C24H18FN3O4 and a molecular weight of 431.42 g/mol. Its IUPAC name is (5R)-5-[(1,5-dihydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(1,5-dihydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione
PubChem CID90740839
Molecular FormulaC24H18FN3O4
Molecular Weight431.42 g/mol
Exact Mass431.13
IUPAC Name(5R)-5-[(1,5-dihydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3cc(O)ccc3c2O)(c2ccc(-c3ccc(F)cc3)cc2)N1
InChIInChI=1S/C24H18FN3O4/c25-18-7-3-15(4-8-18)14-1-5-17(6-2-14)24(22(31)26-23(32)27-24)13-28-12-16-11-19(29)9-10-20(16)21(28)30/h1-12,29-30H,13H2,(H2,26,27,31,32)/t24-/m0/s1
InChIKeyQAXVCNHIXGKXFV-DEOSSOPVSA-N
XLogP3.59
TPSA103.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-[4-(trifluoromethyl)phenyl]ethynyl]imidazolidine-2,4-dione
CID 90687159
(5R)-5-[2-[3-(difluoromethoxy)phenyl]ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90687948
(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione
CID 90697260
(5R)-5-[[6-(difluoromethoxy)-1-hydroxyisoindol-2-yl]methyl]-5-[2-(3-fluoro-4-methoxyphenyl)ethynyl]imidazolidine-2,4-dione
CID 90700045
5-(4-Fluorophenyl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90700643
5-(2,4-Difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90707302
(5R)-5-[2-(4-fluorophenyl)ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90712205
5-[(5-But-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 90716096
5-fluoro-2-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzonitrile
CID 90717061
(5R)-5-[[5-(cyclopropylmethoxy)-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 90717243
(5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90721253
(5R)-5-[(6-but-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione
CID 90725979

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1,5-dihydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(1,5-dihydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione (CID 90740839) is (5R)-5-[(1,5-dihydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(1,5-dihydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(1,5-dihydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@](Cn2cc3cc(O)ccc3c2O)(c2ccc(-c3ccc(F)cc3)cc2)N1.
What is the InChIKey of (5R)-5-[(1,5-dihydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is QAXVCNHIXGKXFV-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H18FN3O4/c25-18-7-3-15(4-8-18)14-1-5-17(6-2-14)24(22(31)26-23(32)27-24)13-28-12-16-11-19(29)9-10-20(16)21(28)30/h1-12,29-30H,13H2,(H2,26,27,31,32)/t24-/m0/s1.
What are the key properties of (5R)-5-[(1,5-dihydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione?
(5R)-5-[(1,5-dihydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 431.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1,5-dihydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90740839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).