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

C12H11FN2O — CID 24739463

IUPAC5-(5-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
SMILESFc1cccc2c1C(c1cnc[nH]1)CCO2
InChIInChI=1S/C12H11FN2O/c13-9-2-1-3-11-12(9)8(4-5-16-11)10-6-14-7-15-10/h1-3,6-8H,4-5H2,(H,14,15)
InChIKeyGPVAYBFYXZZRQO-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.46
Rot. Bonds1

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

5-(5-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole (PubChem CID 24739463) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 5-(5-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(5-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
PubChem CID24739463
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name5-(5-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
SMILESFc1cccc2c1C(c1cnc[nH]1)CCO2
InChIInChI=1S/C12H11FN2O/c13-9-2-1-3-11-12(9)8(4-5-16-11)10-6-14-7-15-10/h1-3,6-8H,4-5H2,(H,14,15)
InChIKeyGPVAYBFYXZZRQO-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-(5-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole?
The IUPAC name of 5-(5-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole (CID 24739463) is 5-(5-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole.
What is the SMILES notation for 5-(5-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole?
The canonical SMILES for 5-(5-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole is Fc1cccc2c1C(c1cnc[nH]1)CCO2.
What is the InChIKey of 5-(5-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole?
The InChIKey is GPVAYBFYXZZRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-9-2-1-3-11-12(9)8(4-5-16-11)10-6-14-7-15-10/h1-3,6-8H,4-5H2,(H,14,15).
What are the key properties of 5-(5-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole?
5-(5-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-(5-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole is sourced from PubChem (CID 24739463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).