(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione

C19H16ClN3O3 — CID 143510401

IUPAC(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc([C@]2(CN3Cc4ccc(Cl)cc4C3=O)NC(=O)NC2=O)cc1
InChIInChI=1S/C19H16ClN3O3/c1-11-2-5-13(6-3-11)19(17(25)21-18(26)22-19)10-23-9-12-4-7-14(20)8-15(12)16(23)24/h2-8H,9-10H2,1H3,(H2,21,22,25,26)/t19-/m0/s1
InChIKeyDUOJOQSQJXMOFS-IBGZPJMESA-N
MW369.81 g/mol
LogP2.34
Rot. Bonds3

About (5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione

(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 143510401) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is (5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID143510401
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc([C@]2(CN3Cc4ccc(Cl)cc4C3=O)NC(=O)NC2=O)cc1
InChIInChI=1S/C19H16ClN3O3/c1-11-2-5-13(6-3-11)19(17(25)21-18(26)22-19)10-23-9-12-4-7-14(20)8-15(12)16(23)24/h2-8H,9-10H2,1H3,(H2,21,22,25,26)/t19-/m0/s1
InChIKeyDUOJOQSQJXMOFS-IBGZPJMESA-N
XLogP2.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(4-bromophenyl)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 11553841
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 143512854
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 46881522
5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione
CID 11604430
5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 126748420
(5R)-5-[4-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 143510278
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)imidazolidine-2,4-dione
CID 71176706
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylsulfonylphenyl)phenyl]imidazolidine-2,4-dione
CID 24871753
5-(4-fluorophenyl)-5-[(3-oxo-6-propyl-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 67579699
(5R)-5-[4-(3-ethyl-2H-indazol-5-yl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 143510078
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione
CID 24889697
5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione
CID 11510993

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione (CID 143510401) is (5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc([C@]2(CN3Cc4ccc(Cl)cc4C3=O)NC(=O)NC2=O)cc1.
What is the InChIKey of (5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is DUOJOQSQJXMOFS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-11-2-5-13(6-3-11)19(17(25)21-18(26)22-19)10-23-9-12-4-7-14(20)8-15(12)16(23)24/h2-8H,9-10H2,1H3,(H2,21,22,25,26)/t19-/m0/s1.
What are the key properties of (5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione?
(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 369.81 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 143510401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).