3-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)-2-(3-methoxy-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]-6-methylpyran-4-one

C26H26N2O7 — CID 154925280

About 3-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)-2-(3-methoxy-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]-6-methylpyran-4-one

3-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)-2-(3-methoxy-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]-6-methylpyran-4-one (PubChem CID 154925280) has the molecular formula C26H26N2O7 and a molecular weight of 478.50 g/mol. Its IUPAC name is 3-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)-2-(3-methoxy-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]-6-methylpyran-4-one.

Molecular Properties

• Compound Name: 3-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)-2-(3-methoxy-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]-6-methylpyran-4-one
• PubChem CID: 154925280
• Molecular Formula: C26H26N2O7
• Molecular Weight: 478.50 g/mol
• Exact Mass: 478.17
• IUPAC Name: 3-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)-2-(3-methoxy-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]-6-methylpyran-4-one
• SMILES: COc1cc(-c2nc(-c3ccc(OC(C)C)c(OC)c3)[nH]c2-c2oc(C)cc(=O)c2O)ccc1O
• InChI: InChI=1S/C26H26N2O7/c1-13(2)34-19-9-7-16(12-21(19)33-5)26-27-22(15-6-8-17(29)20(11-15)32-4)23(28-26)25-24(31)18(30)10-14(3)35-25/h6-13,29,31H,1-5H3,(H,27,28)
• InChIKey: QEKNGBHOEYRMDB-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 127.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.50
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)-2-(3-methoxy-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]-6-methylpyran-4-one?

The IUPAC name of 3-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)-2-(3-methoxy-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]-6-methylpyran-4-one (CID 154925280) is 3-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)-2-(3-methoxy-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]-6-methylpyran-4-one.

What is the SMILES notation for 3-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)-2-(3-methoxy-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]-6-methylpyran-4-one?

The canonical SMILES for 3-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)-2-(3-methoxy-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]-6-methylpyran-4-one is COc1cc(-c2nc(-c3ccc(OC(C)C)c(OC)c3)[nH]c2-c2oc(C)cc(=O)c2O)ccc1O.

What is the InChIKey of 3-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)-2-(3-methoxy-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]-6-methylpyran-4-one?

The InChIKey is QEKNGBHOEYRMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O7/c1-13(2)34-19-9-7-16(12-21(19)33-5)26-27-22(15-6-8-17(29)20(11-15)32-4)23(28-26)25-24(31)18(30)10-14(3)35-25/h6-13,29,31H,1-5H3,(H,27,28).

What are the key properties of 3-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)-2-(3-methoxy-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]-6-methylpyran-4-one?

3-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)-2-(3-methoxy-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]-6-methylpyran-4-one has a molecular weight of 478.50 g/mol, XLogP of 4.89, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)-2-(3-methoxy-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]-6-methylpyran-4-one is sourced from PubChem (CID 154925280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).