(4-fluorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone

C13H8FN3O — CID 4180984

IUPAC(4-fluorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone
SMILESO=C(c1ccc(F)cc1)c1cnc2ncccn12
InChIInChI=1S/C13H8FN3O/c14-10-4-2-9(3-5-10)12(18)11-8-16-13-15-6-1-7-17(11)13/h1-8H
InChIKeyOICHACXJGJLXSZ-UHFFFAOYSA-N
MW241.23 g/mol
LogP2.10
Rot. Bonds2

About (4-fluorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone

(4-fluorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone (PubChem CID 4180984) has the molecular formula C13H8FN3O and a molecular weight of 241.23 g/mol. Its IUPAC name is (4-fluorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name(4-fluorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone
PubChem CID4180984
Molecular FormulaC13H8FN3O
Molecular Weight241.23 g/mol
Exact Mass241.07
IUPAC Name(4-fluorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone
SMILESO=C(c1ccc(F)cc1)c1cnc2ncccn12
InChIInChI=1S/C13H8FN3O/c14-10-4-2-9(3-5-10)12(18)11-8-16-13-15-6-1-7-17(11)13/h1-8H
InChIKeyOICHACXJGJLXSZ-UHFFFAOYSA-N
XLogP2.10
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone?
The IUPAC name of (4-fluorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone (CID 4180984) is (4-fluorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone.
What is the SMILES notation for (4-fluorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone?
The canonical SMILES for (4-fluorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone is O=C(c1ccc(F)cc1)c1cnc2ncccn12.
What is the InChIKey of (4-fluorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone?
The InChIKey is OICHACXJGJLXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O/c14-10-4-2-9(3-5-10)12(18)11-8-16-13-15-6-1-7-17(11)13/h1-8H.
What are the key properties of (4-fluorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone?
(4-fluorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone has a molecular weight of 241.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone is sourced from PubChem (CID 4180984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).