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

C16H20FN3O — CID 106719608

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

N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 106719608) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

• Compound Name: N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
• PubChem CID: 106719608
• Molecular Formula: C16H20FN3O
• Molecular Weight: 289.35 g/mol
• Exact Mass: 289.16
• IUPAC Name: N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
• SMILES: CC(C)NCc1cn(CC2Cc3cc(F)ccc3O2)cn1
• InChI: InChI=1S/C16H20FN3O/c1-11(2)18-7-14-8-20(10-19-14)9-15-6-12-5-13(17)3-4-16(12)21-15/h3-5,8,10-11,15,18H,6-7,9H2,1-2H3
• InChIKey: ZADXALWUBXOQOV-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 39.08 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	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine (CID 106719608) is N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine.

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

The canonical SMILES for N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(CC2Cc3cc(F)ccc3O2)cn1.

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

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

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

N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 289.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 106719608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).