3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxy-1H-imidazol-2-one

C16H11FN4O2 — CID 91212711

IUPAC3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxy-1H-imidazol-2-one
SMILESO=c1[nH]cc(O)n1-c1ccc2nc(-c3ccc(F)cc3)cn2c1
InChIInChI=1S/C16H11FN4O2/c17-11-3-1-10(2-4-11)13-9-20-8-12(5-6-14(20)19-13)21-15(22)7-18-16(21)23/h1-9,22H,(H,18,23)
InChIKeyXLAGTCYIZBBUAA-UHFFFAOYSA-N
MW310.29 g/mol
LogP2.33
Rot. Bonds2

About 3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxy-1H-imidazol-2-one

3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxy-1H-imidazol-2-one (PubChem CID 91212711) has the molecular formula C16H11FN4O2 and a molecular weight of 310.29 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxy-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxy-1H-imidazol-2-one
PubChem CID91212711
Molecular FormulaC16H11FN4O2
Molecular Weight310.29 g/mol
Exact Mass310.09
IUPAC Name3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxy-1H-imidazol-2-one
SMILESO=c1[nH]cc(O)n1-c1ccc2nc(-c3ccc(F)cc3)cn2c1
InChIInChI=1S/C16H11FN4O2/c17-11-3-1-10(2-4-11)13-9-20-8-12(5-6-14(20)19-13)21-15(22)7-18-16(21)23/h1-9,22H,(H,18,23)
InChIKeyXLAGTCYIZBBUAA-UHFFFAOYSA-N
XLogP2.33
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxy-1H-imidazol-2-one?
The IUPAC name of 3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxy-1H-imidazol-2-one (CID 91212711) is 3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxy-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxy-1H-imidazol-2-one?
The canonical SMILES for 3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxy-1H-imidazol-2-one is O=c1[nH]cc(O)n1-c1ccc2nc(-c3ccc(F)cc3)cn2c1.
What is the InChIKey of 3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxy-1H-imidazol-2-one?
The InChIKey is XLAGTCYIZBBUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2/c17-11-3-1-10(2-4-11)13-9-20-8-12(5-6-14(20)19-13)21-15(22)7-18-16(21)23/h1-9,22H,(H,18,23).
What are the key properties of 3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxy-1H-imidazol-2-one?
3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxy-1H-imidazol-2-one has a molecular weight of 310.29 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxy-1H-imidazol-2-one is sourced from PubChem (CID 91212711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).