[7-fluoro-5-(2-methyl-1H-imidazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C13H14FN3O — CID 56711516

IUPAC[7-fluoro-5-(2-methyl-1H-imidazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1ncc(-c2cc(F)c3c(c2)CC(CN)O3)[nH]1
InChIInChI=1S/C13H14FN3O/c1-7-16-6-12(17-7)8-2-9-3-10(5-15)18-13(9)11(14)4-8/h2,4,6,10H,3,5,15H2,1H3,(H,16,17)
InChIKeySAZGASDPJBTIDZ-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.79
Rot. Bonds2

About [7-fluoro-5-(2-methyl-1H-imidazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[7-fluoro-5-(2-methyl-1H-imidazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 56711516) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is [7-fluoro-5-(2-methyl-1H-imidazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-fluoro-5-(2-methyl-1H-imidazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID56711516
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name[7-fluoro-5-(2-methyl-1H-imidazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1ncc(-c2cc(F)c3c(c2)CC(CN)O3)[nH]1
InChIInChI=1S/C13H14FN3O/c1-7-16-6-12(17-7)8-2-9-3-10(5-15)18-13(9)11(14)4-8/h2,4,6,10H,3,5,15H2,1H3,(H,16,17)
InChIKeySAZGASDPJBTIDZ-UHFFFAOYSA-N
XLogP1.79
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [7-fluoro-5-(2-methyl-1H-imidazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-fluoro-5-(2-methyl-1H-imidazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 56711516) is [7-fluoro-5-(2-methyl-1H-imidazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-fluoro-5-(2-methyl-1H-imidazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-fluoro-5-(2-methyl-1H-imidazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is Cc1ncc(-c2cc(F)c3c(c2)CC(CN)O3)[nH]1.
What is the InChIKey of [7-fluoro-5-(2-methyl-1H-imidazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is SAZGASDPJBTIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-7-16-6-12(17-7)8-2-9-3-10(5-15)18-13(9)11(14)4-8/h2,4,6,10H,3,5,15H2,1H3,(H,16,17).
What are the key properties of [7-fluoro-5-(2-methyl-1H-imidazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[7-fluoro-5-(2-methyl-1H-imidazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 247.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-fluoro-5-(2-methyl-1H-imidazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 56711516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).