(5S)-5-[(7-benzyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione

C28H20N4O5 — CID 45273992

IUPAC(5S)-5-[(7-benzyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CN2Cc3ccc4oc(Cc5ccccc5)cc4c3C2=O)(c2cc3ncccc3o2)N1
InChIInChI=1S/C28H20N4O5/c33-25-24-17(8-9-21-19(24)12-18(36-21)11-16-5-2-1-3-6-16)14-32(25)15-28(26(34)30-27(35)31-28)23-13-20-22(37-23)7-4-10-29-20/h1-10,12-13H,11,14-15H2,(H2,30,31,34,35)/t28-/m0/s1
InChIKeyNXOGXHYOWCYMMY-NDEPHWFRSA-N
MW492.49 g/mol
LogP3.86
Rot. Bonds5

About (5S)-5-[(7-benzyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione

(5S)-5-[(7-benzyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 45273992) has the molecular formula C28H20N4O5 and a molecular weight of 492.49 g/mol. Its IUPAC name is (5S)-5-[(7-benzyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(7-benzyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione
PubChem CID45273992
Molecular FormulaC28H20N4O5
Molecular Weight492.49 g/mol
Exact Mass492.14
IUPAC Name(5S)-5-[(7-benzyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CN2Cc3ccc4oc(Cc5ccccc5)cc4c3C2=O)(c2cc3ncccc3o2)N1
InChIInChI=1S/C28H20N4O5/c33-25-24-17(8-9-21-19(24)12-18(36-21)11-16-5-2-1-3-6-16)14-32(25)15-28(26(34)30-27(35)31-28)23-13-20-22(37-23)7-4-10-29-20/h1-10,12-13H,11,14-15H2,(H2,30,31,34,35)/t28-/m0/s1
InChIKeyNXOGXHYOWCYMMY-NDEPHWFRSA-N
XLogP3.86
TPSA117.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.49
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5S)-5-[(7-benzyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(7-benzyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(7-benzyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione (CID 45273992) is (5S)-5-[(7-benzyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(7-benzyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(7-benzyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione is O=C1NC(=O)[C@](CN2Cc3ccc4oc(Cc5ccccc5)cc4c3C2=O)(c2cc3ncccc3o2)N1.
What is the InChIKey of (5S)-5-[(7-benzyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione?
The InChIKey is NXOGXHYOWCYMMY-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H20N4O5/c33-25-24-17(8-9-21-19(24)12-18(36-21)11-16-5-2-1-3-6-16)14-32(25)15-28(26(34)30-27(35)31-28)23-13-20-22(37-23)7-4-10-29-20/h1-10,12-13H,11,14-15H2,(H2,30,31,34,35)/t28-/m0/s1.
What are the key properties of (5S)-5-[(7-benzyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione?
(5S)-5-[(7-benzyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 492.49 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(7-benzyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 45273992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).