3-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea

C20H20N4O2 — CID 71935397

About 3-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea

3-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea (PubChem CID 71935397) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea.

Molecular Properties

• Compound Name: 3-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea
• PubChem CID: 71935397
• Molecular Formula: C20H20N4O2
• Molecular Weight: 348.41 g/mol
• Exact Mass: 348.16
• IUPAC Name: 3-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea
• SMILES: CN(Cc1cnn(-c2ccccc2)c1)C(=O)NC1COc2ccccc21
• InChI: InChI=1S/C20H20N4O2/c1-23(12-15-11-21-24(13-15)16-7-3-2-4-8-16)20(25)22-18-14-26-19-10-6-5-9-17(18)19/h2-11,13,18H,12,14H2,1H3,(H,22,25)
• InChIKey: FYINCIFVAVZISG-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.41
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea?

The IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea (CID 71935397) is 3-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea.

What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea?

The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea is CN(Cc1cnn(-c2ccccc2)c1)C(=O)NC1COc2ccccc21.

What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea?

The InChIKey is FYINCIFVAVZISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-23(12-15-11-21-24(13-15)16-7-3-2-4-8-16)20(25)22-18-14-26-19-10-6-5-9-17(18)19/h2-11,13,18H,12,14H2,1H3,(H,22,25).

What are the key properties of 3-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea?

3-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea has a molecular weight of 348.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 71935397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).