4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[3-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

C27H31N3O5 — CID 3425188

About 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[3-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[3-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 3425188) has the molecular formula C27H31N3O5 and a molecular weight of 477.56 g/mol. Its IUPAC name is 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[3-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[3-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
• PubChem CID: 3425188
• Molecular Formula: C27H31N3O5
• Molecular Weight: 477.56 g/mol
• Exact Mass: 477.23
• IUPAC Name: 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[3-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
• SMILES: Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)C2c2cccc(OCCC(C)C)c2)o1
• InChI: InChI=1S/C27H31N3O5/c1-18(2)10-15-34-21-7-4-6-20(16-21)24-23(25(31)22-9-8-19(3)35-22)26(32)27(33)30(24)13-5-12-29-14-11-28-17-29/h4,6-9,11,14,16-18,24,32H,5,10,12-13,15H2,1-3H3
• InChIKey: WUJVZWOOLMLXHJ-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 97.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.56
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[3-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?

The IUPAC name of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[3-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (CID 3425188) is 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[3-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.

What is the SMILES notation for 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[3-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?

The canonical SMILES for 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[3-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)C2c2cccc(OCCC(C)C)c2)o1.

What is the InChIKey of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[3-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?

The InChIKey is WUJVZWOOLMLXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O5/c1-18(2)10-15-34-21-7-4-6-20(16-21)24-23(25(31)22-9-8-19(3)35-22)26(32)27(33)30(24)13-5-12-29-14-11-28-17-29/h4,6-9,11,14,16-18,24,32H,5,10,12-13,15H2,1-3H3.

What are the key properties of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[3-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?

4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[3-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 477.56 g/mol, XLogP of 4.88, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[3-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3425188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).