6-(2-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine

C18H12F2N4O — CID 122506559

IUPAC6-(2-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine
SMILESFc1cc(OCc2cn3cc(-c4ccccc4F)cnc3n2)ccn1
InChIInChI=1S/C18H12F2N4O/c19-16-4-2-1-3-15(16)12-8-22-18-23-13(10-24(18)9-12)11-25-14-5-6-21-17(20)7-14/h1-10H,11H2
InChIKeyFQWJDLTWOLOPHI-UHFFFAOYSA-N
MW338.32 g/mol
LogP3.65
Rot. Bonds4

About 6-(2-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine

6-(2-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine (PubChem CID 122506559) has the molecular formula C18H12F2N4O and a molecular weight of 338.32 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-(2-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine
PubChem CID122506559
Molecular FormulaC18H12F2N4O
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Name6-(2-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine
SMILESFc1cc(OCc2cn3cc(-c4ccccc4F)cnc3n2)ccn1
InChIInChI=1S/C18H12F2N4O/c19-16-4-2-1-3-15(16)12-8-22-18-23-13(10-24(18)9-12)11-25-14-5-6-21-17(20)7-14/h1-10H,11H2
InChIKeyFQWJDLTWOLOPHI-UHFFFAOYSA-N
XLogP3.65
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-(2-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine (CID 122506559) is 6-(2-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-(2-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-(2-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine is Fc1cc(OCc2cn3cc(-c4ccccc4F)cnc3n2)ccn1.
What is the InChIKey of 6-(2-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is FQWJDLTWOLOPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O/c19-16-4-2-1-3-15(16)12-8-22-18-23-13(10-24(18)9-12)11-25-14-5-6-21-17(20)7-14/h1-10H,11H2.
What are the key properties of 6-(2-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine?
6-(2-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 338.32 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122506559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).