5-[4-(1-benzofuran-4-yloxy)-2-methylphenyl]-6-methylimidazo[1,2-a]pyrazine

C22H17N3O2 — CID 146025711

IUPAC5-[4-(1-benzofuran-4-yloxy)-2-methylphenyl]-6-methylimidazo[1,2-a]pyrazine
SMILESCc1cc(Oc2cccc3occc23)ccc1-c1c(C)ncc2nccn12
InChIInChI=1S/C22H17N3O2/c1-14-12-16(27-20-5-3-4-19-18(20)8-11-26-19)6-7-17(14)22-15(2)24-13-21-23-9-10-25(21)22/h3-13H,1-2H3
InChIKeyPSZSJNYIOHOZFX-UHFFFAOYSA-N
MW355.40 g/mol
LogP5.55
Rot. Bonds3

About 5-[4-(1-benzofuran-4-yloxy)-2-methylphenyl]-6-methylimidazo[1,2-a]pyrazine

5-[4-(1-benzofuran-4-yloxy)-2-methylphenyl]-6-methylimidazo[1,2-a]pyrazine (PubChem CID 146025711) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-[4-(1-benzofuran-4-yloxy)-2-methylphenyl]-6-methylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name5-[4-(1-benzofuran-4-yloxy)-2-methylphenyl]-6-methylimidazo[1,2-a]pyrazine
PubChem CID146025711
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name5-[4-(1-benzofuran-4-yloxy)-2-methylphenyl]-6-methylimidazo[1,2-a]pyrazine
SMILESCc1cc(Oc2cccc3occc23)ccc1-c1c(C)ncc2nccn12
InChIInChI=1S/C22H17N3O2/c1-14-12-16(27-20-5-3-4-19-18(20)8-11-26-19)6-7-17(14)22-15(2)24-13-21-23-9-10-25(21)22/h3-13H,1-2H3
InChIKeyPSZSJNYIOHOZFX-UHFFFAOYSA-N
XLogP5.55
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.40
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-benzofuran-4-yloxy)-2-methylphenyl]-6-methylimidazo[1,2-a]pyrazine?
The IUPAC name of 5-[4-(1-benzofuran-4-yloxy)-2-methylphenyl]-6-methylimidazo[1,2-a]pyrazine (CID 146025711) is 5-[4-(1-benzofuran-4-yloxy)-2-methylphenyl]-6-methylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 5-[4-(1-benzofuran-4-yloxy)-2-methylphenyl]-6-methylimidazo[1,2-a]pyrazine?
The canonical SMILES for 5-[4-(1-benzofuran-4-yloxy)-2-methylphenyl]-6-methylimidazo[1,2-a]pyrazine is Cc1cc(Oc2cccc3occc23)ccc1-c1c(C)ncc2nccn12.
What is the InChIKey of 5-[4-(1-benzofuran-4-yloxy)-2-methylphenyl]-6-methylimidazo[1,2-a]pyrazine?
The InChIKey is PSZSJNYIOHOZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-14-12-16(27-20-5-3-4-19-18(20)8-11-26-19)6-7-17(14)22-15(2)24-13-21-23-9-10-25(21)22/h3-13H,1-2H3.
What are the key properties of 5-[4-(1-benzofuran-4-yloxy)-2-methylphenyl]-6-methylimidazo[1,2-a]pyrazine?
5-[4-(1-benzofuran-4-yloxy)-2-methylphenyl]-6-methylimidazo[1,2-a]pyrazine has a molecular weight of 355.40 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-benzofuran-4-yloxy)-2-methylphenyl]-6-methylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 146025711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).