(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione

C24H19FN4O3 — CID 90797682

IUPAC(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione
SMILESCc1cc(-c2ccc([C@@]3(Cn4cc5ccc(F)cc5c4O)NC(=O)NC3=O)cc2)ccn1
InChIInChI=1S/C24H19FN4O3/c1-14-10-16(8-9-26-14)15-2-5-18(6-3-15)24(22(31)27-23(32)28-24)13-29-12-17-4-7-19(25)11-20(17)21(29)30/h2-12,30H,13H2,1H3,(H2,27,28,31,32)/t24-/m1/s1
InChIKeyCZBHANCCYYTISQ-XMMPIXPASA-N
MW430.44 g/mol
LogP3.59
Rot. Bonds4

About (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione

(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione (PubChem CID 90797682) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione
PubChem CID90797682
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC Name(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione
SMILESCc1cc(-c2ccc([C@@]3(Cn4cc5ccc(F)cc5c4O)NC(=O)NC3=O)cc2)ccn1
InChIInChI=1S/C24H19FN4O3/c1-14-10-16(8-9-26-14)15-2-5-18(6-3-15)24(22(31)27-23(32)28-24)13-29-12-17-4-7-19(25)11-20(17)21(29)30/h2-12,30H,13H2,1H3,(H2,27,28,31,32)/t24-/m1/s1
InChIKeyCZBHANCCYYTISQ-XMMPIXPASA-N
XLogP3.59
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione (CID 90797682) is (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione is Cc1cc(-c2ccc([C@@]3(Cn4cc5ccc(F)cc5c4O)NC(=O)NC3=O)cc2)ccn1.
What is the InChIKey of (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is CZBHANCCYYTISQ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H19FN4O3/c1-14-10-16(8-9-26-14)15-2-5-18(6-3-15)24(22(31)27-23(32)28-24)13-29-12-17-4-7-19(25)11-20(17)21(29)30/h2-12,30H,13H2,1H3,(H2,27,28,31,32)/t24-/m1/s1.
What are the key properties of (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione?
(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 430.44 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90797682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).