(5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione

C26H20ClN3O2 — CID 29405208

IUPAC(5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C26H20ClN3O2/c27-23-20(15-19-11-7-8-14-22(19)28-23)17-30-24(31)26(29-25(30)32,21-12-5-2-6-13-21)16-18-9-3-1-4-10-18/h1-15H,16-17H2,(H,29,32)/t26-/m0/s1
InChIKeyHMGYVWFLKMALNQ-SANMLTNESA-N
MW441.92 g/mol
LogP5.08
Rot. Bonds5

About (5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione

(5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 29405208) has the molecular formula C26H20ClN3O2 and a molecular weight of 441.92 g/mol. Its IUPAC name is (5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID29405208
Molecular FormulaC26H20ClN3O2
Molecular Weight441.92 g/mol
Exact Mass441.12
IUPAC Name(5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C26H20ClN3O2/c27-23-20(15-19-11-7-8-14-22(19)28-23)17-30-24(31)26(29-25(30)32,21-12-5-2-6-13-21)16-18-9-3-1-4-10-18/h1-15H,16-17H2,(H,29,32)/t26-/m0/s1
InChIKeyHMGYVWFLKMALNQ-SANMLTNESA-N
XLogP5.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.92
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S)-3-[(2-chloroquinolin-3-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7594748
3-[(2-chloroquinolin-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 24520323
(5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 7300064
(5S)-5-benzyl-3-[(4-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7240287
(5S)-5-benzyl-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 9451754
(5R)-5-benzyl-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 30553527
(5S)-5-benzyl-3-[(2-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7637567
(5S)-5-benzyl-3-[(2,3,4,5,6-pentafluorophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 41305462
5-benzyl-3-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 17410774
4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzonitrile
CID 3936185
(5S)-5-benzyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylimidazolidine-2,4-dione
CID 25345743
(5R)-5-benzyl-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 41213860

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione (CID 29405208) is (5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione is O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cc2ccccc2nc1Cl.
What is the InChIKey of (5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is HMGYVWFLKMALNQ-SANMLTNESA-N. The full InChI is InChI=1S/C26H20ClN3O2/c27-23-20(15-19-11-7-8-14-22(19)28-23)17-30-24(31)26(29-25(30)32,21-12-5-2-6-13-21)16-18-9-3-1-4-10-18/h1-15H,16-17H2,(H,29,32)/t26-/m0/s1.
What are the key properties of (5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione?
(5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 441.92 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 29405208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).