7-fluoro-3-(1H-imidazol-5-ylmethyl)chromen-4-one

C13H9FN2O2 — CID 127027573

IUPAC7-fluoro-3-(1H-imidazol-5-ylmethyl)chromen-4-one
SMILESO=c1c(Cc2cnc[nH]2)coc2cc(F)ccc12
InChIInChI=1S/C13H9FN2O2/c14-9-1-2-11-12(4-9)18-6-8(13(11)17)3-10-5-15-7-16-10/h1-2,4-7H,3H2,(H,15,16)
InChIKeyRAMDGMPXIREKEE-UHFFFAOYSA-N
MW244.23 g/mol
LogP2.25
Rot. Bonds2

About 7-fluoro-3-(1H-imidazol-5-ylmethyl)chromen-4-one

7-fluoro-3-(1H-imidazol-5-ylmethyl)chromen-4-one (PubChem CID 127027573) has the molecular formula C13H9FN2O2 and a molecular weight of 244.23 g/mol. Its IUPAC name is 7-fluoro-3-(1H-imidazol-5-ylmethyl)chromen-4-one.

Molecular Properties

Compound Name7-fluoro-3-(1H-imidazol-5-ylmethyl)chromen-4-one
PubChem CID127027573
Molecular FormulaC13H9FN2O2
Molecular Weight244.23 g/mol
Exact Mass244.06
IUPAC Name7-fluoro-3-(1H-imidazol-5-ylmethyl)chromen-4-one
SMILESO=c1c(Cc2cnc[nH]2)coc2cc(F)ccc12
InChIInChI=1S/C13H9FN2O2/c14-9-1-2-11-12(4-9)18-6-8(13(11)17)3-10-5-15-7-16-10/h1-2,4-7H,3H2,(H,15,16)
InChIKeyRAMDGMPXIREKEE-UHFFFAOYSA-N
XLogP2.25
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(1H-imidazol-5-ylmethyl)chromen-4-one?
The IUPAC name of 7-fluoro-3-(1H-imidazol-5-ylmethyl)chromen-4-one (CID 127027573) is 7-fluoro-3-(1H-imidazol-5-ylmethyl)chromen-4-one.
What is the SMILES notation for 7-fluoro-3-(1H-imidazol-5-ylmethyl)chromen-4-one?
The canonical SMILES for 7-fluoro-3-(1H-imidazol-5-ylmethyl)chromen-4-one is O=c1c(Cc2cnc[nH]2)coc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-3-(1H-imidazol-5-ylmethyl)chromen-4-one?
The InChIKey is RAMDGMPXIREKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2/c14-9-1-2-11-12(4-9)18-6-8(13(11)17)3-10-5-15-7-16-10/h1-2,4-7H,3H2,(H,15,16).
What are the key properties of 7-fluoro-3-(1H-imidazol-5-ylmethyl)chromen-4-one?
7-fluoro-3-(1H-imidazol-5-ylmethyl)chromen-4-one has a molecular weight of 244.23 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(1H-imidazol-5-ylmethyl)chromen-4-one is sourced from PubChem (CID 127027573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).