3-(5-fluoro-1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

C14H12FN3O — CID 103342048

IUPAC3-(5-fluoro-1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESFc1ccc2oc(-c3cnc4n3CCNC4)cc2c1
InChIInChI=1S/C14H12FN3O/c15-10-1-2-12-9(5-10)6-13(19-12)11-7-17-14-8-16-3-4-18(11)14/h1-2,5-7,16H,3-4,8H2
InChIKeySGPMAHCXLMVOEG-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.54
Rot. Bonds1

About 3-(5-fluoro-1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

3-(5-fluoro-1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (PubChem CID 103342048) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 3-(5-fluoro-1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(5-fluoro-1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
PubChem CID103342048
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name3-(5-fluoro-1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESFc1ccc2oc(-c3cnc4n3CCNC4)cc2c1
InChIInChI=1S/C14H12FN3O/c15-10-1-2-12-9(5-10)6-13(19-12)11-7-17-14-8-16-3-4-18(11)14/h1-2,5-7,16H,3-4,8H2
InChIKeySGPMAHCXLMVOEG-UHFFFAOYSA-N
XLogP2.54
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The IUPAC name of 3-(5-fluoro-1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (CID 103342048) is 3-(5-fluoro-1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(5-fluoro-1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(5-fluoro-1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is Fc1ccc2oc(-c3cnc4n3CCNC4)cc2c1.
What is the InChIKey of 3-(5-fluoro-1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The InChIKey is SGPMAHCXLMVOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-10-1-2-12-9(5-10)6-13(19-12)11-7-17-14-8-16-3-4-18(11)14/h1-2,5-7,16H,3-4,8H2.
What are the key properties of 3-(5-fluoro-1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
3-(5-fluoro-1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine has a molecular weight of 257.27 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 103342048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).