5-[(5-fluoro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole

C12H11FN2O — CID 23292309

IUPAC5-[(5-fluoro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESFc1ccc2oc(CC3CN=CN3)cc2c1
InChIInChI=1S/C12H11FN2O/c13-9-1-2-12-8(3-9)4-11(16-12)5-10-6-14-7-15-10/h1-4,7,10H,5-6H2,(H,14,15)
InChIKeyRCZFCLUNYDMKFU-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.11
Rot. Bonds2

About 5-[(5-fluoro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole

5-[(5-fluoro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 23292309) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 5-[(5-fluoro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-[(5-fluoro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID23292309
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name5-[(5-fluoro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESFc1ccc2oc(CC3CN=CN3)cc2c1
InChIInChI=1S/C12H11FN2O/c13-9-1-2-12-8(3-9)4-11(16-12)5-10-6-14-7-15-10/h1-4,7,10H,5-6H2,(H,14,15)
InChIKeyRCZFCLUNYDMKFU-UHFFFAOYSA-N
XLogP2.11
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-[(5-fluoro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole (CID 23292309) is 5-[(5-fluoro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-[(5-fluoro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-[(5-fluoro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole is Fc1ccc2oc(CC3CN=CN3)cc2c1.
What is the InChIKey of 5-[(5-fluoro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is RCZFCLUNYDMKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-9-1-2-12-8(3-9)4-11(16-12)5-10-6-14-7-15-10/h1-4,7,10H,5-6H2,(H,14,15).
What are the key properties of 5-[(5-fluoro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole?
5-[(5-fluoro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 218.23 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 23292309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).