1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea

C17H26N4O3 — CID 111505551

About 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea

1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea (PubChem CID 111505551) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea.

Molecular Properties

• Compound Name: 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
• PubChem CID: 111505551
• Molecular Formula: C17H26N4O3
• Molecular Weight: 334.42 g/mol
• Exact Mass: 334.20
• IUPAC Name: 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
• SMILES: Cc1ccc(C(C)(O)CNC(=O)NCC(C)Cn2ccnc2C)o1
• InChI: InChI=1S/C17H26N4O3/c1-12(10-21-8-7-18-14(21)3)9-19-16(22)20-11-17(4,23)15-6-5-13(2)24-15/h5-8,12,23H,9-11H2,1-4H3,(H2,19,20,22)
• InChIKey: KJMWXLSYYRWBHY-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 92.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.42
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?

The IUPAC name of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea (CID 111505551) is 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea.

What is the SMILES notation for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?

The canonical SMILES for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea is Cc1ccc(C(C)(O)CNC(=O)NCC(C)Cn2ccnc2C)o1.

What is the InChIKey of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?

The InChIKey is KJMWXLSYYRWBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12(10-21-8-7-18-14(21)3)9-19-16(22)20-11-17(4,23)15-6-5-13(2)24-15/h5-8,12,23H,9-11H2,1-4H3,(H2,19,20,22).

What are the key properties of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?

1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea has a molecular weight of 334.42 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea is sourced from PubChem (CID 111505551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).