1-[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine

C25H25N5O — CID 42197369

About 1-[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine

1-[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine (PubChem CID 42197369) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine.

Molecular Properties

• Compound Name: 1-[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine
• PubChem CID: 42197369
• Molecular Formula: C25H25N5O
• Molecular Weight: 411.51 g/mol
• Exact Mass: 411.21
• IUPAC Name: 1-[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine
• SMILES: Cc1cnc(CN(C)Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)[nH]1
• InChI: InChI=1S/C25H25N5O/c1-18-13-26-24(27-18)17-29(2)15-21-16-30(14-19-8-4-3-5-9-19)28-25(21)23-12-20-10-6-7-11-22(20)31-23/h3-13,16H,14-15,17H2,1-2H3,(H,26,27)
• InChIKey: UYMBHOPOXJOXBT-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 62.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.51
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine?

The IUPAC name of 1-[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine (CID 42197369) is 1-[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine.

What is the SMILES notation for 1-[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine?

The canonical SMILES for 1-[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine is Cc1cnc(CN(C)Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)[nH]1.

What is the InChIKey of 1-[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine?

The InChIKey is UYMBHOPOXJOXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-18-13-26-24(27-18)17-29(2)15-21-16-30(14-19-8-4-3-5-9-19)28-25(21)23-12-20-10-6-7-11-22(20)31-23/h3-13,16H,14-15,17H2,1-2H3,(H,26,27).

What are the key properties of 1-[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine?

1-[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine has a molecular weight of 411.51 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 42197369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).