5-[5-(6-amino-3-pyridinyl)-7-methyl-6,7-dihydro-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C27H25N5O5 — CID 91106863

About 5-[5-(6-amino-3-pyridinyl)-7-methyl-6,7-dihydro-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

5-[5-(6-amino-3-pyridinyl)-7-methyl-6,7-dihydro-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 91106863) has the molecular formula C27H25N5O5 and a molecular weight of 499.53 g/mol. Its IUPAC name is 5-[5-(6-amino-3-pyridinyl)-7-methyl-6,7-dihydro-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[5-(6-amino-3-pyridinyl)-7-methyl-6,7-dihydro-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 91106863
• Molecular Formula: C27H25N5O5
• Molecular Weight: 499.53 g/mol
• Exact Mass: 499.19
• IUPAC Name: 5-[5-(6-amino-3-pyridinyl)-7-methyl-6,7-dihydro-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(CC1(c3cc4c(o3)C(C)CC(c3ccc(N)nc3)=C4)NC(=O)NC1=O)C2
• InChI: InChI=1S/C27H25N5O5/c1-14-7-17(15-4-6-22(28)29-11-15)8-18-9-21(37-23(14)18)27(25(34)30-26(35)31-27)13-32-12-16-3-5-19(36-2)10-20(16)24(32)33/h3-6,8-11,14H,7,12-13H2,1-2H3,(H2,28,29)(H2,30,31,34,35)
• InChIKey: DLIAKJJECQEROE-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 139.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.53
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-(6-amino-3-pyridinyl)-7-methyl-6,7-dihydro-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of 5-[5-(6-amino-3-pyridinyl)-7-methyl-6,7-dihydro-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 91106863) is 5-[5-(6-amino-3-pyridinyl)-7-methyl-6,7-dihydro-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-[5-(6-amino-3-pyridinyl)-7-methyl-6,7-dihydro-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-[5-(6-amino-3-pyridinyl)-7-methyl-6,7-dihydro-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(c3cc4c(o3)C(C)CC(c3ccc(N)nc3)=C4)NC(=O)NC1=O)C2.

What is the InChIKey of 5-[5-(6-amino-3-pyridinyl)-7-methyl-6,7-dihydro-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is DLIAKJJECQEROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O5/c1-14-7-17(15-4-6-22(28)29-11-15)8-18-9-21(37-23(14)18)27(25(34)30-26(35)31-27)13-32-12-16-3-5-19(36-2)10-20(16)24(32)33/h3-6,8-11,14H,7,12-13H2,1-2H3,(H2,28,29)(H2,30,31,34,35).

What are the key properties of 5-[5-(6-amino-3-pyridinyl)-7-methyl-6,7-dihydro-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

5-[5-(6-amino-3-pyridinyl)-7-methyl-6,7-dihydro-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 499.53 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(6-amino-3-pyridinyl)-7-methyl-6,7-dihydro-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 91106863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).