5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4,5-dihydro-1H-imidazol-2-amine

C13H17N3O2 — CID 113291957

About 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4,5-dihydro-1H-imidazol-2-amine

5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 113291957) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

• Compound Name: 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4,5-dihydro-1H-imidazol-2-amine
• PubChem CID: 113291957
• Molecular Formula: C13H17N3O2
• Molecular Weight: 247.30 g/mol
• Exact Mass: 247.13
• IUPAC Name: 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4,5-dihydro-1H-imidazol-2-amine
• SMILES: COc1cc2c(cc1C1CN=C(N)N1)OC(C)C2
• InChI: InChI=1S/C13H17N3O2/c1-7-3-8-4-12(17-2)9(5-11(8)18-7)10-6-15-13(14)16-10/h4-5,7,10H,3,6H2,1-2H3,(H3,14,15,16)
• InChIKey: WKUUCPSQJUSLRI-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 68.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	247.30
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4,5-dihydro-1H-imidazol-2-amine?

The IUPAC name of 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4,5-dihydro-1H-imidazol-2-amine (CID 113291957) is 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4,5-dihydro-1H-imidazol-2-amine.

What is the SMILES notation for 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4,5-dihydro-1H-imidazol-2-amine?

The canonical SMILES for 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4,5-dihydro-1H-imidazol-2-amine is COc1cc2c(cc1C1CN=C(N)N1)OC(C)C2.

What is the InChIKey of 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4,5-dihydro-1H-imidazol-2-amine?

The InChIKey is WKUUCPSQJUSLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-7-3-8-4-12(17-2)9(5-11(8)18-7)10-6-15-13(14)16-10/h4-5,7,10H,3,6H2,1-2H3,(H3,14,15,16).

What are the key properties of 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4,5-dihydro-1H-imidazol-2-amine?

5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 247.30 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 113291957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).