2-ethoxy-1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone

C16H18FN3O2 — CID 53183374

IUPAC2-ethoxy-1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone
SMILESCCOCC(=O)N1CCCn2cc(-c3ccccc3F)nc21
InChIInChI=1S/C16H18FN3O2/c1-2-22-11-15(21)20-9-5-8-19-10-14(18-16(19)20)12-6-3-4-7-13(12)17/h3-4,6-7,10H,2,5,8-9,11H2,1H3
InChIKeyYWVLQGQFOWLTKR-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.46
Rot. Bonds4

About 2-ethoxy-1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone

2-ethoxy-1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone (PubChem CID 53183374) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-ethoxy-1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone
PubChem CID53183374
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name2-ethoxy-1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone
SMILESCCOCC(=O)N1CCCn2cc(-c3ccccc3F)nc21
InChIInChI=1S/C16H18FN3O2/c1-2-22-11-15(21)20-9-5-8-19-10-14(18-16(19)20)12-6-3-4-7-13(12)17/h3-4,6-7,10H,2,5,8-9,11H2,1H3
InChIKeyYWVLQGQFOWLTKR-UHFFFAOYSA-N
XLogP2.46
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone (CID 53183374) is 2-ethoxy-1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone is CCOCC(=O)N1CCCn2cc(-c3ccccc3F)nc21.
What is the InChIKey of 2-ethoxy-1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone?
The InChIKey is YWVLQGQFOWLTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-2-22-11-15(21)20-9-5-8-19-10-14(18-16(19)20)12-6-3-4-7-13(12)17/h3-4,6-7,10H,2,5,8-9,11H2,1H3.
What are the key properties of 2-ethoxy-1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone?
2-ethoxy-1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone has a molecular weight of 303.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone is sourced from PubChem (CID 53183374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).