5-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole

C12H11FN2O — CID 16663246

IUPAC5-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
SMILESFc1ccc2c(c1)C(c1cnc[nH]1)CCO2
InChIInChI=1S/C12H11FN2O/c13-8-1-2-12-10(5-8)9(3-4-16-12)11-6-14-7-15-11/h1-2,5-7,9H,3-4H2,(H,14,15)
InChIKeyXGLINLFTMKOWHG-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.46
Rot. Bonds1

About 5-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole

5-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole (PubChem CID 16663246) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 5-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
PubChem CID16663246
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name5-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
SMILESFc1ccc2c(c1)C(c1cnc[nH]1)CCO2
InChIInChI=1S/C12H11FN2O/c13-8-1-2-12-10(5-8)9(3-4-16-12)11-6-14-7-15-11/h1-2,5-7,9H,3-4H2,(H,14,15)
InChIKeyXGLINLFTMKOWHG-UHFFFAOYSA-N
XLogP2.46
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole?
The IUPAC name of 5-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole (CID 16663246) is 5-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole.
What is the SMILES notation for 5-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole?
The canonical SMILES for 5-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole is Fc1ccc2c(c1)C(c1cnc[nH]1)CCO2.
What is the InChIKey of 5-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole?
The InChIKey is XGLINLFTMKOWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-8-1-2-12-10(5-8)9(3-4-16-12)11-6-14-7-15-11/h1-2,5-7,9H,3-4H2,(H,14,15).
What are the key properties of 5-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole?
5-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole has a molecular weight of 218.23 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole is sourced from PubChem (CID 16663246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).