6-methoxy-2-(6-methylimidazo[1,2-a]pyrimidin-2-yl)-1-benzofuran-4-ol

C16H13N3O3 — CID 126683720

IUPAC6-methoxy-2-(6-methylimidazo[1,2-a]pyrimidin-2-yl)-1-benzofuran-4-ol
SMILESCOc1cc(O)c2cc(-c3cn4cc(C)cnc4n3)oc2c1
InChIInChI=1S/C16H13N3O3/c1-9-6-17-16-18-12(8-19(16)7-9)15-5-11-13(20)3-10(21-2)4-14(11)22-15/h3-8,20H,1-2H3
InChIKeyNHZYVQCBNGRAFM-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.17
Rot. Bonds2

About 6-methoxy-2-(6-methylimidazo[1,2-a]pyrimidin-2-yl)-1-benzofuran-4-ol

6-methoxy-2-(6-methylimidazo[1,2-a]pyrimidin-2-yl)-1-benzofuran-4-ol (PubChem CID 126683720) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 6-methoxy-2-(6-methylimidazo[1,2-a]pyrimidin-2-yl)-1-benzofuran-4-ol.

Molecular Properties

Compound Name6-methoxy-2-(6-methylimidazo[1,2-a]pyrimidin-2-yl)-1-benzofuran-4-ol
PubChem CID126683720
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name6-methoxy-2-(6-methylimidazo[1,2-a]pyrimidin-2-yl)-1-benzofuran-4-ol
SMILESCOc1cc(O)c2cc(-c3cn4cc(C)cnc4n3)oc2c1
InChIInChI=1S/C16H13N3O3/c1-9-6-17-16-18-12(8-19(16)7-9)15-5-11-13(20)3-10(21-2)4-14(11)22-15/h3-8,20H,1-2H3
InChIKeyNHZYVQCBNGRAFM-UHFFFAOYSA-N
XLogP3.17
TPSA72.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(6-methylimidazo[1,2-a]pyrimidin-2-yl)-1-benzofuran-4-ol?
The IUPAC name of 6-methoxy-2-(6-methylimidazo[1,2-a]pyrimidin-2-yl)-1-benzofuran-4-ol (CID 126683720) is 6-methoxy-2-(6-methylimidazo[1,2-a]pyrimidin-2-yl)-1-benzofuran-4-ol.
What is the SMILES notation for 6-methoxy-2-(6-methylimidazo[1,2-a]pyrimidin-2-yl)-1-benzofuran-4-ol?
The canonical SMILES for 6-methoxy-2-(6-methylimidazo[1,2-a]pyrimidin-2-yl)-1-benzofuran-4-ol is COc1cc(O)c2cc(-c3cn4cc(C)cnc4n3)oc2c1.
What is the InChIKey of 6-methoxy-2-(6-methylimidazo[1,2-a]pyrimidin-2-yl)-1-benzofuran-4-ol?
The InChIKey is NHZYVQCBNGRAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-9-6-17-16-18-12(8-19(16)7-9)15-5-11-13(20)3-10(21-2)4-14(11)22-15/h3-8,20H,1-2H3.
What are the key properties of 6-methoxy-2-(6-methylimidazo[1,2-a]pyrimidin-2-yl)-1-benzofuran-4-ol?
6-methoxy-2-(6-methylimidazo[1,2-a]pyrimidin-2-yl)-1-benzofuran-4-ol has a molecular weight of 295.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(6-methylimidazo[1,2-a]pyrimidin-2-yl)-1-benzofuran-4-ol is sourced from PubChem (CID 126683720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).