1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]butan-2-amine

C16H20FN3O — CID 106721388

About 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]butan-2-amine

1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]butan-2-amine (PubChem CID 106721388) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]butan-2-amine.

Molecular Properties

• Compound Name: 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]butan-2-amine
• PubChem CID: 106721388
• Molecular Formula: C16H20FN3O
• Molecular Weight: 289.35 g/mol
• Exact Mass: 289.16
• IUPAC Name: 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]butan-2-amine
• SMILES: CCC(N)Cc1cn(CC2Cc3cc(F)ccc3O2)cn1
• InChI: InChI=1S/C16H20FN3O/c1-2-13(18)7-14-8-20(10-19-14)9-15-6-11-5-12(17)3-4-16(11)21-15/h3-5,8,10,13,15H,2,6-7,9,18H2,1H3
• InChIKey: AEPXTYOGNXSMOE-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 53.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.35
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]butan-2-amine?

The IUPAC name of 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]butan-2-amine (CID 106721388) is 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]butan-2-amine.

What is the SMILES notation for 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]butan-2-amine?

The canonical SMILES for 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]butan-2-amine is CCC(N)Cc1cn(CC2Cc3cc(F)ccc3O2)cn1.

What is the InChIKey of 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]butan-2-amine?

The InChIKey is AEPXTYOGNXSMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-2-13(18)7-14-8-20(10-19-14)9-15-6-11-5-12(17)3-4-16(11)21-15/h3-5,8,10,13,15H,2,6-7,9,18H2,1H3.

What are the key properties of 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]butan-2-amine?

1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]butan-2-amine has a molecular weight of 289.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]butan-2-amine is sourced from PubChem (CID 106721388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).