1-[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-3-ethylimidazolidine-2,4-dione

C24H27ClN2O7 — CID 53468206

IUPAC1-[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-3-ethylimidazolidine-2,4-dione
SMILESCCN1C(=O)CN(c2ccc(Cc3cc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3Cl)cc2)C1=O
InChIInChI=1S/C24H27ClN2O7/c1-2-26-19(29)11-27(24(26)33)16-6-3-13(4-7-16)9-15-10-14(5-8-17(15)25)23-22(32)21(31)20(30)18(12-28)34-23/h3-8,10,18,20-23,28,30-32H,2,9,11-12H2,1H3/t18-,20-,21+,22-,23+/m1/s1
InChIKeyOKQVIDODFGYTAX-IFPLKCGESA-N
MW490.94 g/mol
LogP1.23
Rot. Bonds6

About 1-[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-3-ethylimidazolidine-2,4-dione

1-[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-3-ethylimidazolidine-2,4-dione (PubChem CID 53468206) has the molecular formula C24H27ClN2O7 and a molecular weight of 490.94 g/mol. Its IUPAC name is 1-[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-3-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-3-ethylimidazolidine-2,4-dione
PubChem CID53468206
Molecular FormulaC24H27ClN2O7
Molecular Weight490.94 g/mol
Exact Mass490.15
IUPAC Name1-[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-3-ethylimidazolidine-2,4-dione
SMILESCCN1C(=O)CN(c2ccc(Cc3cc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3Cl)cc2)C1=O
InChIInChI=1S/C24H27ClN2O7/c1-2-26-19(29)11-27(24(26)33)16-6-3-13(4-7-16)9-15-10-14(5-8-17(15)25)23-22(32)21(31)20(30)18(12-28)34-23/h3-8,10,18,20-23,28,30-32H,2,9,11-12H2,1H3/t18-,20-,21+,22-,23+/m1/s1
InChIKeyOKQVIDODFGYTAX-IFPLKCGESA-N
XLogP1.23
TPSA130.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.94
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-3-ethylimidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-3-ethylimidazolidine-2,4-dione?
The IUPAC name of 1-[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-3-ethylimidazolidine-2,4-dione (CID 53468206) is 1-[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-3-ethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-3-ethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-3-ethylimidazolidine-2,4-dione is CCN1C(=O)CN(c2ccc(Cc3cc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3Cl)cc2)C1=O.
What is the InChIKey of 1-[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-3-ethylimidazolidine-2,4-dione?
The InChIKey is OKQVIDODFGYTAX-IFPLKCGESA-N. The full InChI is InChI=1S/C24H27ClN2O7/c1-2-26-19(29)11-27(24(26)33)16-6-3-13(4-7-16)9-15-10-14(5-8-17(15)25)23-22(32)21(31)20(30)18(12-28)34-23/h3-8,10,18,20-23,28,30-32H,2,9,11-12H2,1H3/t18-,20-,21+,22-,23+/m1/s1.
What are the key properties of 1-[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-3-ethylimidazolidine-2,4-dione?
1-[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-3-ethylimidazolidine-2,4-dione has a molecular weight of 490.94 g/mol, XLogP of 1.23, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-3-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 53468206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).