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

C15H18FN3O — CID 79985174

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

2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine (PubChem CID 79985174) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine.

Molecular Properties

• Compound Name: 2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine
• PubChem CID: 79985174
• Molecular Formula: C15H18FN3O
• Molecular Weight: 275.33 g/mol
• Exact Mass: 275.14
• IUPAC Name: 2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine
• SMILES: CNCCc1cn(CC2Cc3cc(F)ccc3O2)cn1
• InChI: InChI=1S/C15H18FN3O/c1-17-5-4-13-8-19(10-18-13)9-14-7-11-6-12(16)2-3-15(11)20-14/h2-3,6,8,10,14,17H,4-5,7,9H2,1H3
• InChIKey: DLUDBOJRQFCEFR-UHFFFAOYSA-N
• XLogP: 1.79
• TPSA: 39.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.33
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine (CID 79985174) is 2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine.

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

The canonical SMILES for 2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine is CNCCc1cn(CC2Cc3cc(F)ccc3O2)cn1.

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

The InChIKey is DLUDBOJRQFCEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-17-5-4-13-8-19(10-18-13)9-14-7-11-6-12(16)2-3-15(11)20-14/h2-3,6,8,10,14,17H,4-5,7,9H2,1H3.

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

2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine has a molecular weight of 275.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 79985174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).